SCHEMBL4808301

SCHEMBL4808301

CCn1cc(Cc2ccccc2Br)c2ccc(C#N)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.39
NR3C1 P04150 1/20 0.39
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.39
SLC6A4 P31645 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTR6 P50406 1/20 0.36
CYP19A1 P11511 3/20 0.35
PDE12 Q6L8Q7 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ACSS2 Q9NR19 1/20 0.34
PLA2G4A P47712 1/20 0.34
LTB4R Q15722 1/20 0.34
KDM1A O60341 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
ICMT O60725 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL4813751 0.81 PLA2G4A (0.46) PGRNR3C1NR3C2ARPLA2G4A
SCHEMBL4813255 0.81 NR3C1 (0.38) PGRNR3C1NR3C2ARSLC6A4
SCHEMBL4809830 0.77 PLA2G4A (0.37) PGRNR3C1NR3C2ARPOLB
SCHEMBL4812180 0.75 CYP11B1 (0.41) PGRNR3C1NR3C2ARPOLB
SCHEMBL4815847 0.75 KDM4E (0.42) POLBLMNA
SCHEMBL29282169 0.72 GPR84 (0.48) PGRSLC6A4PLA2G4ALTB4RKDM1A
SCHEMBL4810316 0.71 CA12 (0.41) PGRNR3C1NR3C2ARPOLB
SCHEMBL4809520 0.71 CYP19A1 (0.44) POLBMAPTCYP19A1LMNAHTT
SCHEMBL4813229 0.69 GPR84 (0.45) PGRNR3C1NR3C2SLC6A4MAPT
SCHEMBL18683661 0.69 GPR84 (0.60) MAPTHTR6CYP19A1LMNAGPR84

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-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 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-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 PGR 2303/4885NR3C1 4333/4885NR3C2 3884/4885

“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.