SCHEMBL26005165

SCHEMBL26005165

CCOC(=O)c1cn(-c2ccc(Br)cc2)nc1C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.61
CA9 Q16790 5/20 0.61
RAB9A P51151 8/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
NPC1 O15118 8/20 0.51
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
GLA P06280 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6052295 0.86 NPC1 (0.66) CA12CA9RAB9ASMN1; SMN2LMNA
SCHEMBL6172144 0.86 NPSR1 (0.67) CA12CA9RAB9ASMN1; SMN2LMNA
SCHEMBL6175085 0.85 CA12 (0.62) CA12CA9RAB9ASMN1; SMN2LMNA
SCHEMBL24303811 0.83 CA12 (0.56) CA12CA9RAB9ASMN1; SMN2LMNA
SCHEMBL29333624 0.83 NPSR1 (0.48) CA12CA9RAB9ASMN1; SMN2LMNA
SCHEMBL6052147 0.81 MEN1 (0.53) CA12CA9RAB9ALMNANPC1
SCHEMBL29332783 0.80 HTT (0.53) CA12CA9RAB9ASMN1; SMN2LMNA
SCHEMBL17980321 0.79 NPC1 (0.49) CA12CA9RAB9ASMN1; SMN2LMNA
SCHEMBL14581231 0.79 MAPK1 (0.45) CA12CA9RAB9ASMN1; SMN2LMNA
SCHEMBL29332803 0.78 RAB9A (0.63) CA12CA9RAB9ASMN1; SMN2LMNA

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-20230265068-A1 TRANSIENT RECEPTOR POTENTIAL CANONICAL 3 INHIBITORS AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2023-08-24 US disclosed
EP-3999505-A1 PESTICIDAL PYRAZOLE AND TRIAZOLE DERIVATIVES BASF SE (DE) 2022-05-25 EP disclosed
CN-114174267-A Pesticidal pyrazole and triazole derivatives 巴斯夫欧洲公司 2022-03-11 CN 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-20230265068-A1 TRANSIENT RECEPTOR POTENTIAL CANONICAL 3 INHIBITORS AND METHODS OF USE THEREOF TRPC3, TRPV3, TRPV1 CA12 3946/4885CA9 4071/4885RAB9A 2801/4885

“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.