SCHEMBL6497602

SCHEMBL6497602

O=C(O)c1cccc(N2CCCCC2Nc2ncccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 2/20 0.49
HSD17B10 Q99714 2/20 0.49
POLB P06746 2/20 0.43
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMO O15229 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40

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
SCHEMBL7053331 0.87 HCAR3 (0.40) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL7467119 0.86 GAA (0.40) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL382582 0.83 USP2 (0.40) ALDH1A1KDM4EGAASMN1; SMN2CDK4
SCHEMBL7462635 0.81 RORC (0.38) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL7051584 0.81 KDM4E (0.37) MEN1KMT2AKDM4EGAACYP2C9
SCHEMBL7463190 0.81 GCK (0.40) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL7468832 0.81 TDP1 (0.39) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL7469676 0.79 RBP4 (0.36) GAACDK4CCND1HSD11B1
SCHEMBL6497127 0.78 KDM4E (0.40) ALDH1A1KDM4EHTTMAPT
SCHEMBL6501602 0.77 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EHPGD

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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 MEN1 1713/4885KMT2A 1917/4885ALDH1A1 1967/4885

“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.