SCHEMBL19657130

SCHEMBL19657130

C=CCn1cc(Br)c2ccn(SI)c2c1=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ RCE1 Q9Y256 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ALOX12 P18054 1/20 0.31

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
SCHEMBL19657249 0.87 PDE4A (0.32) ADORA2B
SCHEMBL19657286 0.86 CECR2 (0.33) —
SCHEMBL19663716 0.80 GRM2 (0.32) HPGDADORA2B
SCHEMBL19657265 0.75 — —
SCHEMBL19663854 0.70 — —
SCHEMBL19657358 0.70 BRD4 (0.64) —
SCHEMBL24363723 0.67 PDE4A (0.31) ADORA2B
SCHEMBL142961 0.66 CYP3A4 (0.41) ALDH1A1POLBRXFP1KDM4EGAA
SCHEMBL19733733 0.58 — —
SCHEMBL23214483 0.58 CYP3A4 (0.40) ALDH1A1KDM4EGAAHPGDGLA

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-10183009-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-01-22 — — US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — 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-10183009-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 ALDH1A1 2006/4885POLB 977/4885RXFP1 2174/4885
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 ALDH1A1 2006/4885POLB 977/4885RXFP1 2174/4885

“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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