SCHEMBL22764029

SCHEMBL22764029

CNc1ccc(I)c(N=O)c1

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.31
▸ RECQL P46063 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA1 P00915 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ EGFR P00533 2/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CA9 Q16790 1/20 0.30

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
SCHEMBL27817473 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL30548754 0.73 APP (0.38) ALDH1A1RECQLHSD17B10CA12CA2
SCHEMBL25793810 0.73 APP (0.38) ALDH1A1RECQLHSD17B10CA12CA2
SCHEMBL90480 0.72 ALDH1A1 (0.39) ALDH1A1RECQLHSD17B10CA12CA2
SCHEMBL21100112 0.72 ALDH1A1 (0.36) ALDH1A1CYP3A4
SCHEMBL10231043 0.72 ERN1 (0.31) —
SCHEMBL28195239 0.72 ALDH1A1 (0.35) ALDH1A1HSD17B10TP53CYP3A4HPGD
Hydrochloric Acid SCHEMBL15360395 0.71 ALDH1A1 (0.38) ALDH1A1RECQLHSD17B10CA12CA2
SCHEMBL18619508 0.70 ABCG2 (0.40) ALDH1A1RECQLHSD17B10CA12CA2
SCHEMBL12947851 0.69 HTT (0.40) ALDH1A1HSD17B10CYP3A4HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385369-A1 NEW BENZIMIDAZOLES DERIVATIVES AS TEC KINASES FAMILY INHIBITORS GB005 INC (US) 2020-12-10 — — 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-20200385369-A1 NEW BENZIMIDAZOLES DERIVATIVES AS TEC KINASES FAMILY INHIBITORS BMX, TEC, BTK ALDH1A1 3662/4885RECQL 2229/4885HSD17B10 3716/4885

“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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