SCHEMBL5437504

SCHEMBL5437504

O=C(CCNC(=O)c1ccc(-n2ccncc2=O)cc1)Nc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.52
RHOA P61586 1/20 0.52
POLB P06746 2/20 0.50
ALDH1A1 P00352 1/20 0.50
F10 P00742 2/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL5440328 0.81 F10 (0.53) F10HTT
SCHEMBL5437953 0.81 F10 (0.51) F10MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL5624374 0.81 F10 (0.46) F10RAB9AMEN1KMT2AGAA
SCHEMBL5624873 0.80 ALDH1A1 (0.48) ALDH1A1F10MEN1KMT2AGAA
SCHEMBL5629014 0.79 POLB (0.55) RHOCRHOAPOLBALDH1A1RAB9A
SCHEMBL5433503 0.77 CYP1A2 (0.49) F10MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6460450 0.77 ITGB3 (0.47) ALDH1A1F10GAAMAPK1SMN1; SMN2
SCHEMBL6460444 0.76 F10 (0.48) F10MAPK1SMN1; SMN2KDM4E
SCHEMBL5436857 0.76 F10 (0.44) F10RAB9A
SCHEMBL5433249 0.76 F10 (0.41) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 US claimed

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-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 RHOC 4633/4885RHOA 2132/4885POLB 1463/4885

“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.