SCHEMBL3728814

SCHEMBL3728814

c1ccc(Cc2ccsn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.46
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.38
LTA4H P09960 1/20 0.38
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
MAOB P27338 1/20 0.36
BRD4 O60885 1/20 0.35
KCNH2 Q12809 1/20 0.34
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
TAAR1 Q96RJ0 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL31124636 0.72 TSHR (0.45) ALDH1A1SMN1; SMN2TDP1L3MBTL1LTA4H
SCHEMBL73211 0.70 CALM1 (0.46) CALM1ALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL158147 0.68 ALDH1A1 (0.46) CALM1ALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL27072915 0.67 CALM1 (0.55) CALM1ALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL11330543 0.67 KCNH2 (0.62) CALM1ALDH1A1RAB9ASMN1; SMN2TDP1
Diphenylmethane SCHEMBL4361124 0.66 CALM1 (1.00) CALM1ALDH1A1LMNALTA4HHPGD
Diphenylmethane SCHEMBL3792579 0.66 CALM1 (1.00) CALM1ALDH1A1LMNALTA4HHPGD
Diphenylmethane SCHEMBL28172316 0.66 CALM1 (1.00) CALM1ALDH1A1LMNALTA4HHPGD
Diphenylmethane SCHEMBL14763944 0.66 CALM1 (1.00) CALM1ALDH1A1LMNALTA4HHPGD
Diphenylmethane SCHEMBL1303 0.66 CALM1 (1.00) CALM1ALDH1A1LMNALTA4HHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2807161-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-12-03 EP disclosed
WO-2013110309-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-01 WO disclosed
US-20100158829-A1 Method and Composition for Color Modulation CONOPCO, INC., D/B/A UNILEVER (US) 2010-06-24 US disclosed
EP-0861456-B1 IMAGE-RECORDING MATERIALS POLAROID CORP (US) 2000-06-21 EP disclosed
US-5811530-A MONOAZO CYAN DYE CHROMOPHOR HAVING A BENZOISOTHIAZOLE MOIETY, DIFFUSION CONTROL GROUP; FOR PEEL-APART PHOTOGRAPHIC FILMS POLAROID CORPORATION (US) 1998-09-22 US disclosed
EP-0861456-A1 IMAGE-RECORDING MATERIALS POLAROID CORPORATION (US) 1998-09-02 EP disclosed
WO-1998012602-A1 IMAGE-RECORDING MATERIALS POLAROID CORPORATION (US) 1998-03-26 WO disclosed
US-5716754-A INCLUDING IMAGE DYE-PROVIDING COMPOUND COMPRISING NAPHTHOL AZO CYAN DYE HAVING 3-AMINOBENZISOTHIAZOLE MOIETY POLAROID CORPORATION (US) 1998-02-10 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 (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-20100158829-A1 Method and Composition for Color Modulation TYR, TH, COMT CALM1 2560/4885ALDH1A1 2383/4885RAB9A 1023/4885

“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.