SCHEMBL2220494

SCHEMBL2220494

O=C(Nc1ccc(-c2cscn2)cc1)c1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 16/20 0.64
▸ MEN1 O00255 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ GRM4 Q14833 2/20 0.61
▸ JAK2 O60674 1/20 0.55
▸ TYK2 P29597 1/20 0.55

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
SCHEMBL2221112 0.79 BCAT2 (0.46) SMOMEN1ALDH1A1CYP1A2HPGD
SCHEMBL2221108 0.79 AVPR2 (0.61) SMOMEN1ALDH1A1CYP2C19KMT2A
SCHEMBL27902120 0.79 SMO (0.43) SMOMEN1ALDH1A1CYP1A2HPGD
SCHEMBL14553224 0.78 NPC1 (0.78) SMOMEN1ALDH1A1CYP1A2HPGD
SCHEMBL27965805 0.76 CHRNB2 (0.60) MEN1ALDH1A1HPGDKMT2A
SCHEMBL7469465 0.75 KIF11 (0.49) MEN1ALDH1A1KMT2A
SCHEMBL13210669 0.75 SMO (0.66) SMOMEN1KMT2AGRM4JAK2
SCHEMBL30640575 0.74 SMO (0.63) SMOMEN1ALDH1A1CYP1A2HPGD
SCHEMBL26673836 0.74 SMO (0.71) SMOMEN1ALDH1A1CYP1A2HPGD
SCHEMBL2117583 0.74 SMO (0.75) SMOMEN1CYP1A2HPGDCYP2C19

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 7 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-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
US-20130012513-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. 2013-01-10 — — US disclosed
EP-2521451-A1 HEDGEHOG INHIBITORS Selexagen Therapeutics, Inc. (US) 2012-11-14 — — EP disclosed
WO-2011085128-A1 HEDGEHOG INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 — — WO 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 SMO 2/4885MEN1 1286/4885ALDH1A1 2913/4885

“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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