SCHEMBL5165544

SCHEMBL5165544

N=C(N)c1cccc(NC(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.70
ACP1 P24666 1/20 0.53
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
F2 P00734 4/20 0.49
PRSS1 P07477 4/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
EPHX1 P07099 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
ALOX12 P18054 1/20 0.46
F7 P08709 1/20 0.46
USP2 O75604 1/20 0.46
ESR1 P03372 1/20 0.46
NR4A1 P22736 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
SCHEMBL5164642 0.90 F10 (0.56) F10ACP1KMT2AGAAGFER
SCHEMBL5918544 0.89 F10 (0.63) F10F2PRSS1ALDH1A1MAPT
SCHEMBL14408264 0.89 F10 (0.56) F10ACP1KMT2AGAAGFER
SCHEMBL5918513 0.87 F10 (0.55) F10ACP1KMT2AF2PRSS1
SCHEMBL6808014 0.86 F10 (0.71) F10KMT2AGAAGFERPRSS1
SCHEMBL5918563 0.84 F10 (0.52) F10KMT2AGAAF2PRSS1
SCHEMBL5918562 0.84 F10 (0.53) F10ACP1KMT2AGAAF2
SCHEMBL5164064 0.83 F10 (0.95) F10KMT2AGAAGFERF2
SCHEMBL5165461 0.83 F10 (0.77) F10ACP1KMT2AF2PRSS1
SCHEMBL5165960 0.82 F10 (1.00) F10KMT2AGAAGFERF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
US-7273867-B2 Phenyl derivatives MERCK PATENT GMBH (DE) 2007-09-25 US disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed
EP-1351938-B1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2007-04-11 EP disclosed
US-20060058389-A1 Novel compounds that inhibit factor xa activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2006-03-16 US disclosed
EP-1470104-A2 NOVEL COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-10-27 EP disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
WO-2003064378-A2 NOVEL COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-08-07 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 (2 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-20060058389-A1 Novel compounds that inhibit factor xa activity SERPINC1, TFPI, F11 F10 5/4885ACP1 2222/4885KMT2A 3935/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 F10 6/4885ACP1 624/4885KMT2A 2252/4885

“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.