SCHEMBL6589134

SCHEMBL6589134

Cc1cc(C(=O)N[C@H](CC(=O)O)c2ccc(N)cc2)no1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 6/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SGPL1 O95470 6/20 0.47
CTSA P10619 5/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL5700835 0.88 SGPL1 (0.49) MEN1KMT2ASGPL1CYP1A2CYP2C19
SCHEMBL5700842 0.88 SGPL1 (0.49) MEN1KMT2ASGPL1CYP1A2CYP2C19
SCHEMBL4033089 0.84 SGPL1 (0.44) CYP26A1MEN1KMT2ASGPL1CYP1A2
SCHEMBL27577535 0.81 MMEL1 (0.48) MEN1KMT2ACTSACYP1A2CYP2D6
SCHEMBL8266861 0.72 NPC1 (0.77) MEN1KMT2A
SCHEMBL7664361 0.71 CYP1A2 (0.74) CYP1A2CYP2D6CYP2C19
SCHEMBL9830762 0.71 KDM4E (0.55) MEN1KMT2ACTSA
SCHEMBL5927099 0.70 CTSA (0.69) CTSA
SCHEMBL1106963 0.69 MAPT (0.73) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL2827515 0.69 MAPT (0.65) MEN1KMT2ACYP1A2CYP2D6CYP2C19

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-1177186-B1 UREAS AND THEIR USE AS CELL ADHESION MODULATORS AVENTIS PHARMA LTD (GB) 2004-03-31 EP disclosed
US-6620832-B2 Inhibitor of alpha 4 beta 1 mediated cell adhesion; treatment for asthma and antiinflammatory AVENTIS PHARMA LTD. (GB) 2003-09-16 US disclosed
US-20020082255-A1 Substituted ureas AVENTIS PHARMA LIMITED (GB) 2002-06-27 US disclosed
EP-1177186-A1 UREAS AND THEIR USE AS CELL ADHESION MODULATORS Aventis Pharma Limited (GB) 2002-02-06 EP disclosed
WO-2000068223-A1 UREAS AND THEIR USE AS CELL ADHESION MODULATORS AVENTIS PHARMA LIMITED (GB) 2000-11-16 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-20020082255-A1 Substituted ureas VCAM1, ITGA1, ITGB1 CYP26A1 423/4885MEN1 4557/4885KMT2A 2628/4885

“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.