SCHEMBL4813428

SCHEMBL4813428

COc1ccc2c(c1)sc(=N)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
ALDH1A1 P00352 4/20 1.00
F12 P00748 1/20 0.53
PARP15 Q460N3 2/20 0.48
PARP10 Q53GL7 2/20 0.48
TNKS2 Q9H2K2 2/20 0.48
PARP2 Q9UGN5 2/20 0.48
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL20074050 0.82 MAPT (0.70) MAPTSMN1; SMN2ALDH1A1PARP15PARP10
SCHEMBL6251438 0.81 SMN1; SMN2 (0.68) MAPTSMN1; SMN2ALDH1A1F12HSD17B10
SCHEMBL11781952 0.79 ALDH1A1 (0.66) MAPTSMN1; SMN2ALDH1A1PARP15PARP10
SCHEMBL6340728 0.79 ALDH1A1 (0.66) MAPTSMN1; SMN2ALDH1A1PARP15PARP10
SCHEMBL11373828 0.79 MAPT (0.65) MAPTSMN1; SMN2ALDH1A1PARP15PARP10
SCHEMBL20065671 0.79 ALDH1A1 (0.65) MAPTSMN1; SMN2ALDH1A1PARP15PARP10
SCHEMBL11273812 0.75 MAPT (0.60) MAPTSMN1; SMN2ALDH1A1F12PARP15
Bromide SCHEMBL10464587 0.73 ALDH1A1 (0.57) MAPTSMN1; SMN2ALDH1A1PARP15PARP10
SCHEMBL20091112 0.73 MAPT (0.57) MAPTSMN1; SMN2ALDH1A1PARP15PARP10
SCHEMBL14080064 0.70 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1PARP15PARP10

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-7413578-B2 Symmetric and assymetric dyes with a mesomeric structure, e.g., 2-[(1-ethyl-4(1H)-quinolinylidene)amino]-6-methoxy-3-methyl-1,3-benzothiazol-3-ium tetrafluoroborate; may be used to dye predamaged sections of hair without oxidizing agent neat or mixed with an acidic, neutral or basic aqueous diluent THE PROCTER & GAMBLE COMPANY (US) 2008-08-19 US disclosed
EP-1844108-A2 COLORANTS COMPRISING CATIONIC AZACYANINE DYES Wella Aktiengesellschaft (DE) 2007-10-17 EP disclosed
US-20070000071-A1 Colorants comprising cationic azacyanine dyes PROCTER & GAMBLE COMPANY, THE 2007-01-04 US disclosed
WO-2006081244-A2 COLORANTS COMPRISING CATIONIC AZACYANINE DYES THE PROCTER & GAMBLE COMPANY (US) 2006-08-03 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-20070000071-A1 Colorants comprising cationic azacyanine dyes KRT18, IK, NUP205 MAPT 2811/4885SMN1; SMN2 2854/4885ALDH1A1 1520/4885

“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.