SCHEMBL6710873

SCHEMBL6710873

Cn1c(CNc2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)nc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
MAPT P10636 4/20 0.62
LMNA P02545 4/20 0.62
ALDH1A1 P00352 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
KDM4E B2RXH2 3/20 0.62
GAA P10253 3/20 0.62
HTT P42858 2/20 0.62
HPGD P15428 1/20 0.62
NPC1 O15118 9/20 0.53
RAB9A P51151 9/20 0.53
TP53 P04637 2/20 0.53
MAPK1 P28482 2/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KLK1 P06870 1/20 0.49
KLK5 Q9Y337 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL6708674 0.80 MAPT (0.52) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL6715237 0.75 MAPT (0.56) SMN1; SMN2MAPTLMNAALDH1A1GAA
SCHEMBL6759302 0.75 HRH4 (0.56) SMN1; SMN2MAPTLMNAALDH1A1L3MBTL1
SCHEMBL6709607 0.73 MAPT (0.54) SMN1; SMN2MAPTLMNAALDH1A1L3MBTL1
SCHEMBL6758072 0.73 NPC1 (0.48) SMN1; SMN2MAPTLMNAALDH1A1L3MBTL1
SCHEMBL7092378 0.73 MAPT (0.43) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL6715174 0.72 MAPT (0.54) SMN1; SMN2MAPTLMNAALDH1A1L3MBTL1
SCHEMBL2245500 0.72 NPC1 (1.00) SMN1; SMN2MAPTLMNAALDH1A1L3MBTL1
SCHEMBL6710876 0.71 MAPT (0.53) SMN1; SMN2MAPTLMNAALDH1A1KDM4E
SCHEMBL13779307 0.69 NPC1 (1.00) SMN1; SMN2MAPTLMNAALDH1A1L3MBTL1

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-20040092524-A1 Novel aminophenyl piperazine or aminophenyl piperidine derivatives inhibiting prenyl transferase proteins and method for preparing same PIERRE FABRE MEDICAMENT (FR) 2004-05-13 US disclosed
EP-1324999-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2003-07-09 EP disclosed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 WO 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-20040092524-A1 Novel aminophenyl piperazine or aminophenyl piperidine derivatives inhibiting prenyl transferase proteins and method for preparing same CBR3, CBR1, HCCS SMN1; SMN2 4744/4885MAPT 4753/4885LMNA 2447/4885

“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.