SCHEMBL6501440

SCHEMBL6501440

CO[C@]1(CNc2ncccn2)CCCN1c1cccc(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KMO O15229 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
KDM3A Q9Y4C1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 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
SCHEMBL6508082 0.89 ALOX5 (0.43) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL6505225 0.83 KMT2A (0.43) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL6499454 0.78 KMT2A (0.44) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL6500754 0.77 ITGAV (0.43)
SCHEMBL6497131 0.74 ALOX5 (0.45) ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2
SCHEMBL6501205 0.69 ALOX5 (0.49) ALDH1A1SMN1; SMN2ALOX15LMNA
SCHEMBL6501436 0.68 GRIN2B (0.41) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL6499164 0.68 ALOX5 (0.44) ALDH1A1KDM4ESMN1; SMN2POLBALOX15
SCHEMBL6498399 0.67 KDM4E (0.52) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL18906049 0.64 MRGPRX4 (0.57) KDM4EKDM4C

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 ALDH1A1 1967/4885KMT2A 1917/4885KDM4E 945/4885

“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.