SCHEMBL3620385

SCHEMBL3620385

O=C1c2sccc2CSc2cccc(Nc3ccccc3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.37
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 3/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
KDR P35968 1/20 0.35
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 3/20 0.34
GLA P06280 2/20 0.34
RECQL P46063 1/20 0.34
PTPRA P18433 1/20 0.33
PTPRB P23467 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPK1 P28482 3/20 0.33
HPGD P15428 3/20 0.33
CYP3A4 P08684 2/20 0.33

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
SCHEMBL5766893 0.79 CCNE2 (0.43) RAB9ANPC1KDM4EGAAALDH1A1
SCHEMBL3612591 0.78 CXCR2 (0.37) KMT2ARAB9APOLBNPC1MAPT
SCHEMBL3613839 0.76 MAPT (0.40) MEN1KMT2ASMN1; SMN2POLBKDR
SCHEMBL3617351 0.76 MAPK14 (0.34) MAPK14GAAALDH1A1
SCHEMBL3619699 0.76 ALDH1A1 (0.33) ALDH1A1NOTUM
SCHEMBL3625452 0.76 ALDH1A1 (0.34) MAPK14MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL3618237 0.73 KMT2A (0.35) MEN1KMT2ASMN1; SMN2RAB9APOLB
SCHEMBL3624434 0.72 NPSR1 (0.40) POLBMAPTTDP1KDM4EGAA
SCHEMBL5764585 0.72 PDK1 (0.44)
SCHEMBL3615403 0.72 MEN1 (0.33) MEN1KMT2ARAB9ANPC1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267796-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME KYOWA HAKKO KOGYO CO., LTD. (JP) 2010-10-21 US disclosed
EP-2077122-A1 THERAPEUTIC AGENTS FOR IRRITABLE BOWEL SYNDROME Kyowa Hakko Kirin Co., Ltd. (JP) 2009-07-08 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-20100267796-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME SLC10A2, ADORA3, HRH2 MAPK14 4235/4885MEN1 3636/4885KMT2A 1920/4885

“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.