SCHEMBL7053331

SCHEMBL7053331

O=C(O)c1ccc(N2CCCCC2Nc2ncccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
USP2 O75604 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
LCK P06239 1/20 0.38
JAK3 P52333 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SLC6A7 Q99884 1/20 0.36
MERTK Q12866 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL7467119 0.99 GAA (0.40) HCAR3CDK4CCND1USP2KDM4E
SCHEMBL382582 0.96 USP2 (0.40) HCAR3CDK4CCND1USP2KDM4E
SCHEMBL7461740 0.88 CDK1 (0.43) HCAR3CDK4CCND1KDM4EGAA
SCHEMBL6497602 0.87 MEN1 (0.49) CDK4CCND1USP2KDM4EGAA
SCHEMBL7054704 0.83 ALDH1A1 (0.45) KDM4ESMN1; SMN2ALDH1A1NPC1TP53
SCHEMBL7459020 0.82 ALDH1A1 (0.38) CDK4CCND1KDM4EALDH1A1
SCHEMBL7468832 0.82 TDP1 (0.39) HCAR3KDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL7051584 0.82 KDM4E (0.37) CDK4CCND1KDM4EGAANPC1
SCHEMBL7462635 0.82 RORC (0.38) HCAR3KDM4EGAAALDH1A1HDAC8
SCHEMBL7463190 0.82 GCK (0.40) CDK4CCND1SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-27 US disclosed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP 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-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist ITGB3, ITGAV, ITGB1 HCAR3 201/4885CDK4 3607/4885CCND1 3652/4885

“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.