SCHEMBL3758244

SCHEMBL3758244

NCC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Br)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
HPGD P15428 1/20 0.49
IDE P14735 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
PAX8 Q06710 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43
RECQL P46063 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3758240 0.84 ALDH1A1 (0.50) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL3757924 0.80 ALDH1A1 (0.40) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL3768274 0.80 MGLL (0.51) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL3764229 0.79 HCRTR1 (0.44) LMNASMN1; SMN2ALDH1A1POLBCA12
SCHEMBL1222723 0.76 KCNH2 (0.47) LMNASMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL1221923 0.76 KMT2A (0.54) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL3764910 0.76 ALDH1A1 (0.61) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL1221532 0.75 KMT2A (0.53) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL26614039 0.75 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL26614043 0.75 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1MAPTKMT2A

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
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US claimed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US claimed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 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-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 LMNA 2028/4885SMN1; SMN2 4076/4885ALDH1A1 969/4885

“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.