SCHEMBL17107115

SCHEMBL17107115

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.75
▸ MAPT P10636 4/20 0.75
▸ THRB P10828 1/20 0.75
▸ NPC1 O15118 5/20 0.65
▸ HPGD P15428 4/20 0.65
▸ SMN1; SMN2 Q16637 4/20 0.65
▸ RAB9A P51151 4/20 0.65
▸ MEN1 O00255 8/20 0.65
▸ KMT2A Q03164 8/20 0.65
▸ KDM4E B2RXH2 3/20 0.65
▸ LMNA P02545 3/20 0.65
▸ HTT P42858 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ USP2 O75604 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ F2 P00734 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61

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
SCHEMBL17107204 0.89 ALDH1A1 (0.66) ALDH1A1MAPTTHRBHPGDSMN1; SMN2
SCHEMBL17131992 0.89 ALDH1A1 (0.71) ALDH1A1MAPTTHRBNPC1HPGD
SCHEMBL17107190 0.88 ADORA3 (0.71) ALDH1A1MAPTTHRBNPC1HPGD
SCHEMBL2754062 0.88 MAPT (0.83) ALDH1A1MAPTTHRBNPC1HPGD
SCHEMBL2753571 0.87 ALDH1A1 (0.85) ALDH1A1MAPTTHRBNPC1HPGD
SCHEMBL17107224 0.86 SMN1; SMN2 (0.71) ALDH1A1MAPTTHRBHPGDSMN1; SMN2
SCHEMBL17107107 0.86 MEN1 (0.66) ALDH1A1MAPTTHRBNPC1HPGD
SCHEMBL12300959 0.84 LMNA (0.67) ALDH1A1MAPTTHRBHPGDSMN1; SMN2
SCHEMBL2754044 0.84 MAPT (0.70) ALDH1A1MAPTTHRBNPC1HPGD
SCHEMBL17107205 0.84 NPC1 (0.57) ALDH1A1MAPTTHRBNPC1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274714-A1 ANTI-MIGRATION AND ANTI-INVASION THIAZOLE ANALOGS FOR TREATMENT OF CELLULAR PROLIFERATIVE DISEASE XAVIER UNIVERSITY OF LOUISIANA 2015-10-01 — — US claimed
US-20210330646-A1 FASCIN BINDING COMPOUNDS FOR SPINOGENESIS SPINOGENIX, INC. 2021-10-28 — — US disclosed
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 (2 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
US-20210330646-A1 FASCIN BINDING COMPOUNDS FOR SPINOGENESIS FSCN1, SMN1; SMN2, DCX ALDH1A1 3791/4885MAPT 410/4885THRB 3175/4885

“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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