SCHEMBL6709698

SCHEMBL6709698

CC(C)CNC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.76
MAPT P10636 15/20 0.76
SMN1; SMN2 Q16637 5/20 0.69
LMNA P02545 5/20 0.67
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
GAA P10253 2/20 0.64
HTT P42858 6/20 0.58
ALOX12 P18054 1/20 0.58
MAPK1 P28482 3/20 0.57
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL10680090 0.82 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL6710998 0.81 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL27845811 0.76 MAPT (0.69) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL1127218 0.75 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL5741339 0.73 SIRT6 (0.62) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL6151230 0.73 SIRT6 (0.81) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL15271381 0.73 SIRT6 (0.81) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL28398268 0.73 MAPT (1.00) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL2074819 0.73 MAPT (0.68) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL29057437 0.73 MAPT (0.68) ALDH1A1MAPTSMN1; SMN2LMNAMEN1

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 ALDH1A1 3031/4885MAPT 4753/4885SMN1; SMN2 4744/4885

“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.