SCHEMBL17132004

SCHEMBL17132004

COc1ccc(C(=O)Nc2nc(-c3cc(C)c(C)c(OC)c3)cs2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.54
▸ KMT2A Q03164 7/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ RECQL P46063 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ USP2 O75604 4/20 0.49
▸ USP8 P40818 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ HPGD P15428 1/20 0.49

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
SCHEMBL17131990 0.90 ADORA3 (0.67) MEN1KMT2ANPC1MAPK1RAB9A
SCHEMBL17132005 0.88 MAPT (0.62) MEN1KMT2ANPC1MAPK1RAB9A
SCHEMBL16073046 0.85 MAPK1 (0.64) MEN1KMT2ANPC1MAPK1RAB9A
SCHEMBL17131992 0.85 ALDH1A1 (0.71) MEN1KMT2ANPC1MAPK1RAB9A
SCHEMBL17132014 0.84 MEN1 (0.55) MEN1KMT2ANPC1MAPK1RAB9A
SCHEMBL17132013 0.83 KMT2A (0.60) MEN1KMT2ANPC1MAPK1RAB9A
SCHEMBL17132011 0.82 ADORA3 (0.54) MEN1KMT2ANPC1MAPK1RAB9A
SCHEMBL17132036 0.82 ADORA3 (0.62) MEN1KMT2ANPC1MAPK1RAB9A
SCHEMBL17107205 0.82 NPC1 (0.57) MEN1KMT2ANPC1MAPK1RAB9A
SCHEMBL12248942 0.81 MAPT (0.60) MEN1KMT2ANPC1MAPK1MAPT

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 MEN1 990/4885KMT2A 4592/4885NPC1 189/4885

“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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