SCHEMBL19004924

SCHEMBL19004924

Nc1cc(CBr)cc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38
LOXL2 Q9Y4K0 3/20 0.38
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
LOX P28300 2/20 0.37
HSD17B10 Q99714 3/20 0.35
BACE1 P56817 1/20 0.33
PDPK1 O15530 1/20 0.32
GRM4 Q14833 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
NT5E P21589 1/20 0.31
GAA P10253 1/20 0.31
SCN9A Q15858 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
ATM Q13315 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
Bromide SCHEMBL18985550 0.98 HSP90AA1 (0.39) HSP90AA1HSP90AB1CA2CHKALOXL2
SCHEMBL17079133 0.82 HSP90AA1 (0.41) HSP90AA1HSP90AB1CA2CHKALOXL2
SCHEMBL17085390 0.81 HSP90AA1 (0.40) HSP90AA1HSP90AB1CA2CHKALOXL2
Hydrochloric Acid SCHEMBL17079135 0.79 LOXL2 (0.40) HSP90AA1HSP90AB1CA2CHKALOXL2
SCHEMBL21607390 0.77 HSP90AA1 (0.48) HSP90AA1HSP90AB1LOXL2KDM4EALDH1A1
SCHEMBL15650227 0.77 NT5E (0.38) HSP90AA1HSP90AB1LOXL2KDM4EALDH1A1
SCHEMBL17079130 0.75 PTGS2 (0.42) HSP90AA1HSP90AB1KDM4EALDH1A1KMT2A
SCHEMBL24027029 0.75 HRH3 (0.39) HSP90AA1HSP90AB1LOXL2KDM4EALDH1A1
SCHEMBL21831253 0.73 GAA (0.42) LOXL2KDM4EALDH1A1LOXHSD17B10
SCHEMBL30910919 0.73 GAA (0.42) LOXL2KDM4EALDH1A1LOXHSD17B10

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 HSP90AA1 2647/4885HSP90AB1 1602/4885CA2 4378/4885
US-10894784-B2 Heteroarylbenzimidazole compounds CCNI, CCNT2, CDK2 HSP90AA1 2647/4885HSP90AB1 1602/4885CA2 4378/4885

“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.