SCHEMBL19005052

SCHEMBL19005052

Cc1cc(CBr)cc(N)n1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.52
NOS3 P29474 4/20 0.52
NOS1 P29475 4/20 0.52
RAB9A P51151 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
Bromide SCHEMBL18986103 0.98 NOS2 (0.50) NOS2NOS3NOS1RAB9ADYRK1A
SCHEMBL5949408 0.84 LMNA (0.37) NOS2NOS3NOS1RAB9A
Hydrochloric Acid SCHEMBL6629648 0.81 LMNA (0.36) NOS2NOS3NOS1RAB9A
SCHEMBL23064147 0.80 NOS3 (0.54) NOS2NOS3NOS1
SCHEMBL21672278 0.80 NOS2 (0.54) NOS2NOS3NOS1RAB9A
SCHEMBL1828814 0.78 NOS2 (0.52) NOS2NOS3NOS1
SCHEMBL16346063 0.78 NOS2 (0.52) NOS2NOS3NOS1RAB9ADYRK1A
SCHEMBL26537579 0.78 NOS2 (0.52) NOS2NOS3NOS1RAB9A
SCHEMBL8364029 0.77 NOS2 (0.50) NOS2NOS3NOS1RAB9ADYRK1A
SCHEMBL11030279 0.76 CCR1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894784-B2 Heteroarylbenzimidazole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-01-19 US disclosed
US-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-02-14 US disclosed
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO 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-20190047980-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS CCNI, CCNT2, CDK2 NOS2 1181/4885NOS3 1635/4885NOS1 2141/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 NOS2 1181/4885NOS3 1635/4885NOS1 2141/4885

“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.