SCHEMBL13820018

SCHEMBL13820018

Cc1ccc2c(c1)sc(/C=C/C=C/C=C1\N(CCCS(=O)(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)CCCCCC(=O)ON1C(=O)CCC1=O)[n+]2CCCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.43
▸ ADRB2 P07550 2/20 0.41
▸ HTR1A P08908 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ NAMPT P43490 1/20 0.37
▸ SLC16A3 O15427 1/20 0.36
▸ ADORA2A P29274 2/20 0.35
▸ CHRM2 P08172 2/20 0.32
▸ CHRM4 P08173 2/20 0.32
▸ CHRM5 P08912 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ ADORA1 P30542 1/20 0.30
▸ FOLH1 Q04609 1/20 0.30

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
SCHEMBL12012051 0.93 ADRB2 (0.43) BRD4ADRB2HTR1AABL1PARP1
SCHEMBL12730196 0.91 BRD4 (0.40) BRD4ADRB2HTR1AABL1PARP1
SCHEMBL12012046 0.90 BRD4 (0.44) BRD4ADRB2HTR1AABL1PARP1
SCHEMBL14404729 0.86 ADRB2 (0.45) BRD4ADRB2HTR1AABL1PARP1
SCHEMBL16671983 0.85 ADRB2 (0.53) BRD4ADRB2HTR1AABL1PARP1
SCHEMBL15354527 0.84 BRD4 (0.35) BRD4ADRB2HTR1AABL1PARP1
SCHEMBL13165210 0.84 PTPN1 (0.39) BRD4ADRB2HTR1APARP1HRH3
SCHEMBL16984444 0.83 ADRB2 (0.43) BRD4ADRB2HTR1AABL1PARP1
SCHEMBL1105644 0.83 PTPN1 (0.39) BRD4ADRB2HTR1AABL1HRH3
SCHEMBL17322726 0.82 ADRB2 (0.51) BRD4ADRB2HTR1AABL1PARP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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

For each of this compound's patents that has machine-readable text (3 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-20120288871-A1 Modified Carbocyanine Dyes and Their Conjugates IK, CBR3, DRD5 BRD4 217/4885ADRB2 2725/4885HTR1A 604/4885
US-20150218380-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 BRD4 217/4885ADRB2 2725/4885HTR1A 604/4885
US-20150247785-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 BRD4 217/4885ADRB2 2725/4885HTR1A 604/4885

“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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