SCHEMBL3618237

SCHEMBL3618237

COc1cccc2c1C(=O)c1sccc1CS2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TOP1 P11387 1/20 0.35
MAPT P10636 6/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
APAF1 O14727 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
EGFR P00533 1/20 0.35
PIM1 P11309 1/20 0.35
KDM4E B2RXH2 2/20 0.34
USP2 O75604 1/20 0.34
DUSP3 P51452 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TCF4 P15884 1/20 0.34
CTNNB1 P35222 1/20 0.34
RAB9A P51151 2/20 0.33
POLL Q9UGP5 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3613839 0.79 MAPT (0.40) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL3617351 0.79 MAPK14 (0.34) ALDH1A1
SCHEMBL3619699 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL1728115 0.75 TOP1 (0.43) KMT2AMEN1TOP1MAPTALDH1A1
SCHEMBL5766893 0.74 CCNE2 (0.43) ALDH1A1KDM4ERAB9A
SCHEMBL3621875 0.73 METAP1 (0.41) KMT2AMAPTLMNAELANETP53
SCHEMBL15143531 0.72 MAPT (0.50) KMT2AMEN1TOP1MAPTALDH1A1
SCHEMBL3624434 0.70 NPSR1 (0.40) MAPTALDH1A1HTTLMNAKDM4E
SCHEMBL5764585 0.68 PDK1 (0.44)
SCHEMBL13141672 0.67 CCNE2 (0.31)

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 KMT2A 1920/4885MEN1 3636/4885TOP1 4575/4885

“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.