SCHEMBL2074288

SCHEMBL2074288

Cc1cc(NC(=O)C(Nc2ccc3c(c2)OCCO3)c2ccccc2)ccc1N1CCCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.51
ALDH1A1 P00352 8/20 0.47
TSHR P16473 6/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2071716 0.95 ALDH1A1 (0.53) F10ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL5164881 0.83 F10 (0.66) F10ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL2073782 0.83 F10 (0.51) F10ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL5167014 0.82 F10 (0.56) F10
SCHEMBL2072667 0.82 F10 (0.50) F10ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5165361 0.82 F10 (0.56) F10
SCHEMBL5167174 0.81 F10 (0.55) F10
SCHEMBL5164572 0.81 F10 (0.77) F10ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL5166239 0.81 F10 (0.55) F10
SCHEMBL2071960 0.81 F10 (0.49) F10ALDH1A1NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414456-B1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2011-12-28 EP claimed
US-20040235828-A1 Phenyl derivatives as factor XA Inhibitors MERCK PATENTGESELLSCHAFT (DE) 2004-11-25 US claimed
EP-1414456-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2004-05-06 EP claimed
WO-2003013531-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-02-20 WO claimed
EP-1414456-B1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2011-12-28 EP disclosed
US-7902223-B2 For therapy and prophylaxis of thromboses, myocardial infarction, arteriosclerosis, inflammation, apoplexia, angina pectoris, restenosis after angioplasty, claudicatio intermittens, migraine, tumours, tumour diseases and/or tumour metastases MERCK PATENT GMBH (DE) 2011-03-08 US disclosed
US-20040235828-A1 Phenyl derivatives as factor XA Inhibitors MERCK PATENTGESELLSCHAFT (DE) 2004-11-25 US disclosed
EP-1414456-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2004-05-06 EP disclosed
WO-2003013531-A1 PHENYL DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-02-20 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-20040235828-A1 Phenyl derivatives as factor XA Inhibitors F11, F2, F12 F10 5/4885ALDH1A1 1475/4885TSHR 1088/4885

“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.