SCHEMBL2168956

SCHEMBL2168956

CC(C)(Br)C(=O)N(Nc1ccc([N+](=O)[O-])cc1)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
NAMPT P43490 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 3/20 0.38
MAPK1 P28482 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGES O14684 1/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 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
SCHEMBL1035190 0.70 ALDH1A1 (0.41) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL11465705 0.67 CYP3A4 (0.57) ALDH1A1NAMPTGAAMEN1KMT2A
SCHEMBL12745725 0.65 MEN1 (0.50) ALDH1A1NAMPTGAAMEN1KMT2A
SCHEMBL2170686 0.65 ALDH1A1 (0.51) ALDH1A1NAMPTGAAMEN1KMT2A
SCHEMBL8770451 0.62 GAA (0.57) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL9847274 0.62 ALDH1A1 (0.61) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL14676929 0.62 HSD11B1 (0.55)
SCHEMBL28323076 0.61 GAA (0.55) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL7063751 0.60 KMT2A (0.85) ALDH1A1NAMPTGAAMEN1KMT2A
SCHEMBL12443098 0.60 ALDH1A1 (0.75) ALDH1A1NAMPTMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 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-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD11B2, HSD3B1 ALDH1A1 157/4885NAMPT 1936/4885GAA 1040/4885

“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.