SCHEMBL3662427

SCHEMBL3662427

c1ccc2c(c1)Nc1c(cccc1N1CCNCC1)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.49
HTR6 P50406 4/20 0.46
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
HTR7 P34969 2/20 0.46
HTR5A P47898 2/20 0.46
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
NCF1 P14598 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL5138912 0.87 ALOX5 (0.47) ADRB1TSHRALOX5KDM4EALDH1A1
SCHEMBL5359537 0.76 ADRB1 (0.49) ADRB1HTR6HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL5361148 0.75 ADRB1 (0.48) ADRB1HTR6HTR1AHTR2AHTR7
SCHEMBL28869176 0.74 ALOX5 (0.60) SIGMAR1ALOX5
Piperazine SCHEMBL28283156 0.74 ALOX5 (0.50) HTR7ALOX5LMNA
SCHEMBL2217462 0.73 KDM1A (0.49) ADRB1HTR6HTR1AHTR2AHTR7
Phenoxazine SCHEMBL28101788 0.73 ALOX5 (0.77) HTR7ALOX5LMNA
SCHEMBL5356816 0.72 HTR7 (0.53) ADRB1HTR6HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL5356028 0.71 HTR7 (0.51) ADRB1HTR6HTR1AHTR2AHTR7
SCHEMBL15834279 0.71 ADRB1 (0.75) ADRB1HTR6HTR1AHTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206464-B2 Blue polymeric hair dyes BASF SE (DE) 2012-06-26 US disclosed
US-20110061179-A1 BLUE POLYMERIC HAIR DYES BASF SE (US) 2011-03-17 US disclosed
EP-2238205-A1 BLUE POLYMERIC HAIR DYES BASF SE (DE) 2010-10-13 EP disclosed
WO-2009090124-A1 BLUE POLYMERIC HAIR DYES BASF SE (DE) 2009-07-23 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 (1 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-20110061179-A1 BLUE POLYMERIC HAIR DYES CUTA, IK, TYR ADRB1 3451/4885HTR6 1530/4885HTR1A 804/4885

“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.