SCHEMBL4416626

SCHEMBL4416626

CCOC(=N)c1ccc(NC(=O)NCC(=O)OCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 3/20 0.55
TSHR P16473 2/20 0.52
NAMPT P43490 4/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CASP3 P42574 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NLRP3 Q96P20 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 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
SCHEMBL4414766 0.88 F7 (0.57) PPID
SCHEMBL10456811 0.84 PPID (0.56) PPIDTSHRNAMPTMAPTALDH1A1
SCHEMBL10192183 0.84 PPID (0.62) PPIDMAPTALDH1A1KDM4EHTT
SCHEMBL5181438 0.81 PPID (0.59) PPIDTSHRNAMPTMAPTALDH1A1
SCHEMBL10458690 0.81 PPID (0.56) PPIDTSHRNAMPTMAPTALDH1A1
SCHEMBL10458688 0.81 PPID (0.56) PPIDTSHRNAMPTMAPTALDH1A1
SCHEMBL11102630 0.81 ALDH1A1 (0.68) PPIDTSHRNAMPTMAPTALDH1A1
SCHEMBL4417206 0.80 PPID (0.47) PPIDTSHRNAMPTMAPTALDH1A1
SCHEMBL27350327 0.79 MEN1 (0.65) PPIDNAMPTMAPTALDH1A1KDM4E
SCHEMBL10458702 0.78 CA12 (0.50) NAMPTMAPTALDH1A1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP disclosed
US-6743790-B2 A UREA OR THIOUREA DERIVATIVES CONTAINING AMIDE GROUP USEFUL AS ANTICOAGULANTS AND ANTIINFLAMMATORY AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-01 US disclosed
EP-1299354-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2003-04-09 EP disclosed
US-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-05-02 US disclosed
WO-2001094301-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-13 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-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use F7, F9, F5 PPID 2134/4885TSHR 336/4885NAMPT 3471/4885

“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.