SCHEMBL13239257

SCHEMBL13239257

Cc1ccc(Cn2ncc3cc[nH]c32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 3/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL13218043 0.77 HTT (0.46) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL12597504 0.74 HTT (0.46) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL13239079 0.74 HTT (0.46) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL29459664 0.71 RECQL (0.75) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL5530473 0.71 RECQL (0.75) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL16418007 0.70 BRD4 (0.48) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL28667718 0.69 RECQL (0.49) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL17458867 0.67 SMN1; SMN2 (0.51) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL145302 0.67 NPC1 (0.57) HTTSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL16418009 0.66 BRD4 (0.45) HTTSMN1; SMN2ALDH1A1NPC1LMNA

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-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-26 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-20100216809-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, DLAT HTT 1395/4885SMN1; SMN2 4081/4885ALDH1A1 488/4885

“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.