SCHEMBL1656944

SCHEMBL1656944

Cc1ccc(S(=O)(=O)[O-])cc1.O=C(O)CCCCC[n+]1c(C=CNc2ccccc2)sc2ccccc21

nearest known ligand 0.51

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ HTT P42858 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ THRB P10828 2/20 0.51
▸ MMP14 P50281 1/20 0.51
▸ ADRB2 P07550 1/20 0.45
▸ CYP2D6 P10635 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ INSR P06213 10/20 0.38
▸ KDM4E B2RXH2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12012062 0.81 MAPT (0.52) MEN1KMT2AMAPTHTTLMNA
SCHEMBL3766308 0.80 ADRB2 (0.71) MEN1KMT2AMAPTHTTLMNA
SCHEMBL3766310 0.80 ADRB2 (0.71) MEN1KMT2AMAPTHTTLMNA
SCHEMBL1656942 0.80 CYP2D6 (0.41) MEN1KMT2AMAPTHTTLMNA
SCHEMBL1655733 0.77 MEN1 (0.38) MEN1KMT2AMAPTHTTLMNA
SCHEMBL1655731 0.77 MEN1 (0.38) MEN1KMT2AMAPTHTTLMNA
Perchlorate SCHEMBL11444833 0.76 KMT2A (0.66) MEN1KMT2AMAPTHTTLMNA
Perchlorate SCHEMBL11444832 0.76 KMT2A (0.66) MEN1KMT2AMAPTHTTLMNA
SCHEMBL14827238 0.72 CYP2D6 (0.49) MEN1KMT2AMAPTHTTLMNA
SCHEMBL14582188 0.71 MAPT (0.56) MEN1KMT2AMAPTHTTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160356681-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation 2016-12-08 — — US disclosed
US-9423323-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2016-08-23 — — US disclosed
US-20150247785-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation 2015-09-03 — — US disclosed
US-20150218380-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation 2015-08-06 — — US disclosed
US-9018396-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2015-04-28 — — US disclosed
US-8614302-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2013-12-24 — — US disclosed
US-8569506-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2013-10-29 — — US disclosed
US-20120288871-A1 Modified Carbocyanine Dyes and Their Conjugates Life Technologies Corporation (US) 2012-11-15 — — US disclosed
US-8252932-B2 Modified carbocyanine dyes and their conjugates Life Technologies Corporation (US) 2012-08-28 — — US disclosed
US-20110171678-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation (US) 2011-07-14 — — US disclosed
US-20090035810-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES INVITROGEN CORPORATION (US) 2009-02-05 — — US disclosed
US-20070232805-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES INVITROGEN CORPORATION (US) 2007-10-04 — — US disclosed
US-20070178512-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES INVITROGEN CORPORATION (US) 2007-08-02 — — US disclosed
US-20070178511-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES INVITROGEN CORPORATION (US) 2007-08-02 — — US disclosed
US-20060099638-A1 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. 2006-05-11 — — US disclosed
US-20060004188-A1 Intermediates and the synthesis of modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. 2006-01-05 — — US disclosed
US-6977305-B2 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. (US) 2005-12-20 — — US disclosed
US-6974873-B2 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. (US) 2005-12-13 — — US disclosed
US-20020077487-A1 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. 2002-06-20 — — US disclosed
US-20020064794-A1 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. 2002-05-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020077487-A1 Modified carbocyanine dyes and their conjugates IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885MAPT 2463/4885
US-20070178511-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885MAPT 2463/4885
US-20110171678-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885MAPT 2463/4885
US-20120288871-A1 Modified Carbocyanine Dyes and Their Conjugates IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885MAPT 2463/4885
US-20160356681-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885MAPT 2463/4885
US-20150218380-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885MAPT 2463/4885
US-20070178512-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885MAPT 2463/4885
US-20150247785-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885MAPT 2463/4885
US-20060004188-A1 Intermediates and the synthesis of modified carbocyanine dyes and their conjugates CBR3, IK, CYBA MEN1 1030/4885KMT2A 3170/4885MAPT 2041/4885
US-20060099638-A1 Modified carbocyanine dyes and their conjugates IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885MAPT 2463/4885
US-20070232805-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885MAPT 2463/4885
US-20090035810-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885MAPT 2463/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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