SCHEMBL6460113

SCHEMBL6460113

COCCOCOc1ccc(C(C#N)CCO)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.36
CCR1 P32246 2/20 0.35
APP P05067 5/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR1I2 O75469 1/20 0.32

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
SCHEMBL6465654 0.82 FFAR1 (0.47) KMT2AF2ELANE
SCHEMBL6461269 0.81 KMT2A (0.40) CTNNB1KMT2ASMN1; SMN2MAPK1F2
SCHEMBL6461539 0.79 CTNNB1 (0.38) CTNNB1APPSMN1; SMN2CYP2C9TP53
SCHEMBL12855509 0.73 KMT2A (0.45) CTNNB1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL22668044 0.70 ESR1 (0.54) CCR1KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL3335173 0.70 LMNA (0.48) CTNNB1APPKMT2AMEN1ALDH1A1
SCHEMBL10745619 0.70 CTNNB1 (0.43) CTNNB1APPKMT2AMEN1ALDH1A1
SCHEMBL12703442 0.69 APP (0.57) APPKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL4599599 0.69 LTA4H (0.48) CTNNB1APPLMNAESR2CYP1A2
SCHEMBL4996156 0.69 PKM (0.40) CTNNB1APPKMT2AF2ELANE

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-20050203094-A1 2-[5-(5-carbamimidoyl-1h-heteroaryl)]-6-hydroxybiphenyl-3-yl derivatives as factor viia inhibitors AXYS PHARMACEUTICALS, INC. 2005-09-15 US disclosed
EP-1474400-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)] -6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-11-10 EP disclosed
WO-2003068756-A1 2-[5-(5-CARBAMIMIDOYL-1H-HETEROARYL)]-6-HYDROXYBIPHENYL-3-YL DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-08-21 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 (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-20050203094-A1 2-[5-(5-carbamimidoyl-1h-heteroaryl)]-6-hydroxybiphenyl-3-yl derivatives as factor viia inhibitors F7, HABP2, F13B CTNNB1 618/4885CCR1 4087/4885APP 3451/4885

“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.