SCHEMBL13705808

SCHEMBL13705808

Cc1ccccc1NC(=O)N1CCN(N)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.56
ITGB1 P05556 2/20 0.56
ITGA4 P13612 2/20 0.56
FAAH O00519 2/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 2/20 0.51
TRPV1 Q8NER1 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ITGB3 P05106 1/20 0.50
ITGAV P06756 1/20 0.50
ITGA5 P08648 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL4306314 0.86 KDM4E (0.67) KMT2ASMN1; SMN2LMNAGAAITGB1
SCHEMBL27851276 0.84 POLB (0.69) KMT2ASMN1; SMN2LMNAGAAITGB1
SCHEMBL5430672 0.81 KMT2A (0.64) KMT2ASMN1; SMN2LMNAGAAITGB1
SCHEMBL17079635 0.81 RAB9A (0.69) KMT2ASMN1; SMN2LMNAGAAITGB1
SCHEMBL29609509 0.81 RAB9A (0.69) KMT2ASMN1; SMN2LMNAGAAITGB1
SCHEMBL1221514 0.81 POLB (0.60) KMT2ASMN1; SMN2LMNAGAAITGB1
SCHEMBL4299533 0.81 KDM4E (0.60) KMT2ASMN1; SMN2LMNAGAAITGB1
SCHEMBL22218698 0.80 KMT2A (0.59) KMT2ASMN1; SMN2LMNAGAAITGB1
SCHEMBL1222027 0.79 KMT2A (0.57) KMT2ASMN1; SMN2LMNAGAAITGB1
SCHEMBL29104584 0.76 KDM4E (0.58) KMT2ASMN1; SMN2NPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 1389/4885SMN1; SMN2 4076/4885LMNA 2028/4885

“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.