SCHEMBL7103244

SCHEMBL7103244

CCOC(=O)c1cn(Cc2cccc(C#N)c2)cc1-c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ELANE P08246 1/20 0.42
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
ADRA1D P25100 1/20 0.40
KDM1A O60341 2/20 0.39
GRM5 P41594 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6163470 0.91 NPC1 (0.46) CYP19A1POLBRXFP1ELANEFNTA
SCHEMBL7105111 0.91 F2RL3 (0.45) CYP19A1POLBRXFP1ELANEFNTA
SCHEMBL6163480 0.91 POLB (0.44) POLBRXFP1ELANEFNTAFNTB
SCHEMBL7102321 0.89 POLB (0.43) POLBRXFP1ELANEFNTAFNTB
SCHEMBL7100618 0.86 POLB (0.44) POLBRXFP1ELANEFNTAFNTB
SCHEMBL6166443 0.85 ELANE (0.44) CYP19A1POLBRXFP1ELANEFNTA
SCHEMBL6162978 0.85 ELANE (0.48) CYP19A1POLBRXFP1ELANEFNTA
SCHEMBL6238920 0.84 MAPK14 (0.47) POLBRXFP1NPC1RAB9AMAPT
SCHEMBL7108632 0.82 RXFP1 (0.39) POLBRXFP1ELANEFNTAFNTB
SCHEMBL6170073 0.81 FNTA (0.44) POLBRXFP1ELANEFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI CYP19A1 260/4885POLB 3482/4885RXFP1 1251/4885

“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.