SCHEMBL17132013

SCHEMBL17132013

COc1ccc(C(=O)Nc2nc(-c3cc(C)c(C)c(OC)c3)cs2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.60
▸ MEN1 O00255 7/20 0.60
▸ MAPK1 P28482 5/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ LMNA P02545 2/20 0.59
▸ POLB P06746 3/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ MAPT P10636 3/20 0.57
▸ HPGD P15428 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.56
▸ RAB9A P51151 3/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ HTT P42858 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ ADORA3 P0DMS8 1/20 0.53

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 0.89 ADORA3 (0.67) KMT2AMEN1MAPK1ALDH1A1HSD17B10
SCHEMBL17132011 0.88 ADORA3 (0.54) KMT2AMEN1MAPK1ALDH1A1HSD17B10
SCHEMBL17131991 0.88 HPGD (0.62) KMT2AMEN1MAPK1ALDH1A1HSD17B10
SCHEMBL17132036 0.88 ADORA3 (0.62) KMT2AMEN1MAPK1ALDH1A1HSD17B10
SCHEMBL17107107 0.88 MEN1 (0.66) KMT2AMEN1MAPK1ALDH1A1HSD17B10
SCHEMBL12248942 0.87 MAPT (0.60) KMT2AMEN1MAPK1ALDH1A1HSD17B10
SCHEMBL17131992 0.87 ALDH1A1 (0.71) KMT2AMEN1MAPK1ALDH1A1HSD17B10
SCHEMBL17107236 0.84 ADORA3 (0.73) KMT2AMEN1MAPK1ALDH1A1HSD17B10
SCHEMBL12248901 0.84 LMNA (0.64) KMT2AMEN1MAPK1ALDH1A1KDM4E
SCHEMBL17132004 0.83 MEN1 (0.54) KMT2AMEN1MAPK1ALDH1A1HSD17B10

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 KMT2A 4592/4885MEN1 990/4885MAPK1 1754/4885

“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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