SCHEMBL396010

SCHEMBL396010

c1ccc(-c2sc(-c3ccccn3)nc2-c2cccc3ccccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
TGFBR1 P36897 3/20 0.54
DCTPP1 Q9H773 1/20 0.47
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 3/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
MIF P14174 1/20 0.44
GABRA1 P14867 1/20 0.44
APOBEC3G Q9HC16 1/20 0.43
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.41
GFER P55789 1/20 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
SCHEMBL11463722 0.83 IDO1 (0.57) IDO1KDM4EALDH1A1NPC1TP53
SCHEMBL11453814 0.82 PTGS2 (0.50) TGFBR1KDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL7974992 0.73 IDO1 (1.00) IDO1TGFBR1KDM4EALDH1A1NPC1
SCHEMBL57525 0.73 KDM4E (0.63) TGFBR1DCTPP1KDM4EALDH1A1NPC1
SCHEMBL31607260 0.73 KDM4E (0.63) TGFBR1DCTPP1KDM4EALDH1A1NPC1
SCHEMBL31473547 0.73 KDM4E (0.63) TGFBR1DCTPP1KDM4EALDH1A1NPC1
SCHEMBL29484714 0.73 KDM4E (0.63) TGFBR1DCTPP1KDM4EALDH1A1NPC1
SCHEMBL28426539 0.72 KDM4E (0.55) TGFBR1DCTPP1KDM4EALDH1A1NPC1
SCHEMBL17343413 0.72 KDM4E (0.51) IDO1TGFBR1DCTPP1KDM4EALDH1A1
SCHEMBL20237398 0.71 KDM4E (0.61) TGFBR1DCTPP1KDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101580-B2 Therapeutic agent for irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2012-01-24 US claimed
US-20090093415-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME ASTELLAS PHARMA INC. (JP) 2009-04-09 US claimed
EP-1872795-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2008-01-02 EP claimed
US-8101580-B2 Therapeutic agent for irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2012-01-24 US disclosed
US-8101580-B2 Therapeutic agent for irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2012-01-24 US disclosed
US-8101580-B2 Therapeutic agent for irritable bowel syndrome ASTELLAS PHARMA INC. (JP) 2012-01-24 US disclosed
US-20090093415-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME ASTELLAS PHARMA INC. (JP) 2009-04-09 US disclosed
US-20090093415-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME ASTELLAS PHARMA INC. (JP) 2009-04-09 US disclosed
US-20090093415-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME ASTELLAS PHARMA INC. (JP) 2009-04-09 US disclosed
EP-1872795-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2008-01-02 EP disclosed
EP-1872795-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2008-01-02 EP 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-20090093415-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME BRS3, VIPR2, BDKRB2 IDO1 3042/4885TGFBR1 2575/4885DCTPP1 4364/4885

“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.