SCHEMBL17131992

SCHEMBL17131992

COc1cccc(C(=O)Nc2nc(-c3cc(C)c(C)c(OC)c3)cs2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.71
▸ MAPT P10636 3/20 0.71
▸ THRB P10828 1/20 0.71
▸ NPC1 O15118 5/20 0.65
▸ RAB9A P51151 4/20 0.65
▸ HPGD P15428 3/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ MEN1 O00255 8/20 0.62
▸ KMT2A Q03164 8/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ GCK P35557 3/20 0.57
▸ HTT P42858 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ PAX8 Q06710 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.55
▸ DHODH Q02127 1/20 0.52

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
SCHEMBL17132036 0.90 ADORA3 (0.62) ALDH1A1MAPTTHRBNPC1RAB9A
SCHEMBL17107115 0.89 ALDH1A1 (0.75) ALDH1A1MAPTTHRBNPC1RAB9A
SCHEMBL17131990 0.89 ADORA3 (0.67) ALDH1A1MAPTTHRBNPC1RAB9A
SCHEMBL17132013 0.87 KMT2A (0.60) ALDH1A1MAPTTHRBNPC1RAB9A
SCHEMBL12248901 0.85 LMNA (0.64) ALDH1A1MAPTTHRBRAB9ASMN1; SMN2
SCHEMBL2754062 0.85 MAPT (0.83) ALDH1A1MAPTTHRBNPC1RAB9A
SCHEMBL17132004 0.85 MEN1 (0.54) ALDH1A1MAPTTHRBNPC1RAB9A
SCHEMBL12248942 0.85 MAPT (0.60) ALDH1A1MAPTTHRBNPC1HPGD
SCHEMBL2753571 0.84 ALDH1A1 (0.85) ALDH1A1MAPTTHRBNPC1RAB9A
SCHEMBL17132011 0.84 ADORA3 (0.54) ALDH1A1MAPTNPC1RAB9AHPGD

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-9650369-B2 Anti-migration and anti-invasion thiazole analogs for treatment of cellular proliferative disease XAVIER UNIVERSITY OF LOUISIANA (US) 2017-05-16 — — US disclosed
US-20150274714-A1 ANTI-MIGRATION AND ANTI-INVASION THIAZOLE ANALOGS FOR TREATMENT OF CELLULAR PROLIFERATIVE DISEASE XAVIER UNIVERSITY OF LOUISIANA 2015-10-01 — — 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-20150274714-A1 ANTI-MIGRATION AND ANTI-INVASION THIAZOLE ANALOGS FOR TREATMENT OF CELLULAR PROLIFERATIVE DISEASE MKI67, MIF, NUDC ALDH1A1 1082/4885MAPT 3002/4885THRB 1531/4885

“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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