SCHEMBL1655907

SCHEMBL1655907

C[N+]1=C(C=CC=CNc2ccccc2)C(C)(C)c2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
LMNA P02545 5/20 0.55
HTT P42858 5/20 0.55
MMP14 P50281 1/20 0.55
MAPT P10636 7/20 0.40
THRB P10828 5/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 4/20 0.40
POLB P06746 4/20 0.40
RAB9A P51151 4/20 0.40
PKM P14618 3/20 0.40
XBP1 P17861 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
S1PR4 O95977 2/20 0.40
ALPG P10696 2/20 0.40
S1PR1 P21453 2/20 0.40
NTSR1 P30989 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX12 P18054 2/20 0.40

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
SCHEMBL1655903 1.00 MEN1 (0.55) MEN1KMT2ALMNAHTTMMP14
SCHEMBL17250086 0.88 MEN1 (0.40) MEN1KMT2ALMNAHTTMMP14
SCHEMBL13446762 0.84 KMT2A (0.56) MEN1KMT2ALMNAHTTMMP14
SCHEMBL12012033 0.83 KMT2A (0.57) MEN1KMT2ALMNAHTTMMP14
SCHEMBL1658644 0.83 PTPN1 (0.41) MEN1KMT2ALMNAHTTMMP14
SCHEMBL1658645 0.83 PTPN1 (0.41) MEN1KMT2ALMNAHTTMMP14
SCHEMBL14404492 0.82 PTPN1 (0.41) MEN1KMT2ALMNAHTTMMP14
SCHEMBL7018706 0.82 PTPN1 (0.41) MEN1KMT2ALMNAHTTMMP14
SCHEMBL14867812 0.81 KMT2A (0.74) MEN1KMT2ALMNAHTTMMP14
SCHEMBL1715260 0.81 HRH2 (0.42) MEN1KMT2ALMNAHTTMMP14

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 37 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
EP-1322710-B2 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES LIFE TECHNOLOGIES CORP (US) 2015-02-18 EP 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
EP-2325263-B1 Modified carbocyanine dyes and their conjugates LIFE TECHNOLOGIES CORP (US) 2013-01-23 EP disclosed
US-20120288871-A1 Modified Carbocyanine Dyes and Their Conjugates Life Technologies Corporation (US) 2012-11-15 US disclosed
EP-1770129-A2 Modified carbocyanine dyes and their conjugates Molecular Probes, Inc. (US) 2007-04-04 EP disclosed
EP-1322710-B1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES MOLECULAR PROBES INC (US) 2007-01-24 EP 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
EP-1322710-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Molecular Probes Inc. (US) 2003-07-02 EP 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
WO-2002026891-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES MOLECULAR PROBES, INC. (US) 2002-04-04 WO 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 (7 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 2895/4885LMNA 2822/4885
US-20120288871-A1 Modified Carbocyanine Dyes and Their Conjugates IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885LMNA 2822/4885
US-20160356681-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885LMNA 2822/4885
US-20150218380-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885LMNA 2822/4885
US-20150247785-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885LMNA 2822/4885
US-20060004188-A1 Intermediates and the synthesis of modified carbocyanine dyes and their conjugates CBR3, IK, CYBA MEN1 1030/4885KMT2A 3170/4885LMNA 2094/4885
US-20060099638-A1 Modified carbocyanine dyes and their conjugates IK, CBR3, DRD5 MEN1 1243/4885KMT2A 2895/4885LMNA 2822/4885

“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.