SCHEMBL4079237

SCHEMBL4079237

COC(=O)c1ccccc1CCNNC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NQO2 P16083 1/20 0.44
KCNA5 P22460 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
ATR Q13535 1/20 0.39
CFTR P13569 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
CA1 P00915 1/20 0.38

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
SCHEMBL166559 0.86 LMNA (0.55) ALDH1A1LMNAKMT2AHTTNPC1
SCHEMBL6874531 0.82 NQO2 (0.46) LMNAKMT2ANPC1RAB9ANQO2
SCHEMBL375745 0.82 ALDH1A1 (0.52) ALDH1A1LMNAKMT2ANQO2KCNA5
SCHEMBL19037271 0.81 NQO2 (0.45) LMNAKMT2ANPC1RAB9ANQO2
SCHEMBL19031567 0.78 MAOB (0.44) ALDH1A1KMT2AHTTNPC1RAB9A
SCHEMBL2158784 0.78 KCNA5 (0.55) ALDH1A1LMNAKMT2AKCNA5KDM4E
SCHEMBL29056995 0.78 ALDH1A1 (0.66) ALDH1A1LMNAKMT2AHTTKDM4E
SCHEMBL7328495 0.77 CTSK (0.50) KMT2ANPC1RAB9APOLBMEN1
SCHEMBL26673798 0.77 IDO1 (0.46) ALDH1A1LMNAKMT2AHTTNPC1
SCHEMBL10360804 0.76 ALDH1A1 (0.77) ALDH1A1LMNAKMT2AHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 EP disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 US 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 ALDH1A1 1638/4885LMNA 1846/4885KMT2A 4051/4885

“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.