SCHEMBL6370252

SCHEMBL6370252

CN(C)C(=O)c1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RARB P10826 3/20 0.49
RARG P13631 3/20 0.49
NCEH1 Q6PIU2 1/20 0.48
PLAU P00749 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM2B Q8NHM5 2/20 0.46
F10 P00742 1/20 0.46
RARA P10276 2/20 0.45
GRIN2D O15399 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
CYP26A1 O43174 1/20 0.45
CYP26B1 Q9NR63 1/20 0.45
PTPN1 P18031 1/20 0.44

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
SCHEMBL9193164 0.92 ALDH1A1 (0.59) KDM4EALDH1A1HPGDSMN1; SMN2NCEH1
SCHEMBL7011836 0.84 CES2 (0.61) KDM4EALDH1A1HPGDSMN1; SMN2PLAU
Methyl Alcohol SCHEMBL7181550 0.83 KDM4E (0.69) KDM4EALDH1A1HPGDSMN1; SMN2RARB
SCHEMBL29359975 0.82 KDM4E (0.68) KDM4EALDH1A1HPGDRARBRARG
SCHEMBL18758 0.82 KDM4E (0.68) KDM4EALDH1A1HPGDRARBRARG
SCHEMBL29594563 0.82 KDM4E (0.68) KDM4EALDH1A1HPGDRARBRARG
SCHEMBL6916181 0.82 KDM4E (0.68) KDM4EALDH1A1HPGDRARBRARG
SCHEMBL8881536 0.82 LCK (0.58) KDM4EALDH1A1HPGDSMN1; SMN2NCEH1
SCHEMBL13925372 0.82 CYP2A6 (0.56) ALDH1A1HPGDSMN1; SMN2NCEH1PLAU
SCHEMBL1255459 0.82 MEN1 (0.53) KDM4EALDH1A1HPGDMEN1KMT2A

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-20050043304-A1 Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-02-24 US disclosed
EP-1445250-A1 NOVEL AMINE DERIVATIVE HAVING HUMAN BETA-TRYPTASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-08-11 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-20050043304-A1 Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same TPSAB1, TPSB2, TPSD1 KDM4E 1687/4885ALDH1A1 2142/4885HPGD 1220/4885

“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.