SCHEMBL3615403

SCHEMBL3615403

COCOc1ccc(Cl)cc1Nc1cccc2c1C(=O)c1sccc1CS2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CLCN2 P51788 1/20 0.31
KDR P35968 1/20 0.31
P2RX7 Q99572 2/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL3612591 0.81 CXCR2 (0.37) KMT2ANPC1RAB9AMAPT
SCHEMBL3621875 0.67 METAP1 (0.41) KMT2AP2RX7TP53MAPT
SCHEMBL3624434 0.67 NPSR1 (0.40) TP53MAPT
SCHEMBL3617351 0.64 MAPK14 (0.34)
SCHEMBL3619699 0.64 ALDH1A1 (0.33)
SCHEMBL3613839 0.64 MAPT (0.40) MEN1KMT2ACYP3A4KDRMAPT
SCHEMBL5764585 0.63 PDK1 (0.44)
SCHEMBL5764100 0.63 PDK1 (0.44)
SCHEMBL3621237 0.62 CXCR2 (0.36) MEN1KMT2AMAPT
SCHEMBL3142232 0.57 ABL1 (0.51) MEN1KMT2AKDRMAPT

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 MEN1 3636/4885KMT2A 1920/4885CYP1A2 1418/4885

“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.