SCHEMBL12009700

SCHEMBL12009700

COc1ccccc1N1C(=O)SC(=Cc2cc(C)n(-c3ccc(N=O)cc3)c2C)C1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.68
▸ KMT2A Q03164 8/20 0.68
▸ RAB9A P51151 8/20 0.68
▸ ALDH1A1 P00352 7/20 0.68
▸ KDM4E B2RXH2 3/20 0.68
▸ HTT P42858 3/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ PSMD14 O00487 1/20 0.53
▸ MEN1 O00255 6/20 0.52
▸ POLB P06746 1/20 0.52
▸ TCF4 P15884 1/20 0.51
▸ CTNNB1 P35222 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ MAPT P10636 5/20 0.48
▸ S1PR4 O95977 4/20 0.46
▸ S1PR1 P21453 3/20 0.46
▸ S1PR5 Q9H228 3/20 0.46
▸ APOBEC3A P31941 1/20 0.46
▸ APOBEC3G Q9HC16 1/20 0.46
▸ MYC P01106 1/20 0.45

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
SCHEMBL18545562 0.85 KMT2A (0.66) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL12009016 0.85 KMT2A (0.66) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL12009718 0.85 TCF4 (0.68) NPC1KMT2ARAB9AALDH1A1HTT
SCHEMBL12009720 0.84 TCF4 (0.59) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL18545483 0.83 TCF4 (0.76) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL12009735 0.83 TCF4 (0.59) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL12009017 0.83 TCF4 (0.76) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL12009721 0.80 TCF4 (0.61) NPC1KMT2ARAB9AALDH1A1HTT
SCHEMBL12009032 0.77 TCF4 (0.68) NPC1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL12009114 0.76 TCF4 (0.79) NPC1KMT2ARAB9AALDH1A1KDM4E

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-8252823-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2012-08-28 — — US disclosed
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof US ARMY, SECRETARY OF THE ARMY 2009-09-10 — — US 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-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 NPC1 1604/4885KMT2A 4591/4885RAB9A 3367/4885

“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.

Send feedback