SCHEMBL12515898

SCHEMBL12515898

COc1ccc(C(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 2/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAPT P10636 2/20 0.50
▸ AVPR2 P30518 1/20 0.48
▸ GPR27 Q9NS67 1/20 0.48
▸ SMO Q99835 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ USP8 P40818 1/20 0.46

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
SCHEMBL12515313 0.90 NPC1 (0.58) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL12515337 0.89 NPC1 (0.54) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL12515334 0.89 MEN1 (0.54) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL12515324 0.89 JAK2 (0.51) TYK2JAK2MEN1KMT2ARAB9A
SCHEMBL12515753 0.88 NPC1 (0.69) TYK2JAK2MEN1KMT2ANPC1
SCHEMBL12515380 0.87 RAB9A (0.53) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL12515906 0.87 MEN1 (0.52) TYK2JAK2MEN1KMT2ANPC1
SCHEMBL12515894 0.83 MEN1 (0.57) MEN1KMT2ARAB9AMAPTAVPR2
SCHEMBL12515897 0.83 RAB9A (0.76) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL12515905 0.83 RAB9A (0.48) MEN1KMT2ANPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174949-B2 Hedgehog inhibitors SELEXAGEN THERAPEUTICS, INC. (US) 2015-11-03 — — US disclosed
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 — — US disclosed
WO-2011085128-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 — — WO 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-20130012513-A1 HEDGEHOG INHIBITORS SHH, SMO, GLI1 TYK2 3357/4885JAK2 52/4885MEN1 1286/4885

“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.

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