SCHEMBL10106218

SCHEMBL10106218

CCCCCc1cccc(Nc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.50
LIPG Q9Y5X9 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
AR P10275 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
FDFT1 P37268 1/20 0.49
KCNH3 Q9ULD8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
S1PR1 P21453 4/20 0.45
S1PR4 O95977 2/20 0.45
S1PR5 Q9H228 2/20 0.45
S1PR3 Q99500 1/20 0.44

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
SCHEMBL24244461 0.98 LPL (0.51) LPLLIPGMEN1ALDH1A1AR
SCHEMBL20921417 0.98 LPL (0.51) LPLLIPGMEN1ALDH1A1AR
SCHEMBL22446985 0.95 MAPT (0.52) LPLLIPGMEN1ALDH1A1AR
SCHEMBL11871771 0.93 LPL (0.56) LPLLIPGPPARGPPARAS1PR1
SCHEMBL29767685 0.93 LPL (0.56) LPLLIPGPPARGPPARAS1PR1
SCHEMBL9418466 0.93 LPL (0.56) LPLLIPGPPARGPPARAS1PR1
SCHEMBL26118267 0.89 LPL (0.47) LPLLIPGFDFT1NPSR1SIGMAR1
SCHEMBL1406273 0.87 MAPT (0.56) MEN1ALDH1A1ARMAPTKMT2A
Diphenylamine SCHEMBL27639994 0.87 KCNH2 (0.59) ALDH1A1KCNH3KCNH2SIGMAR1
SCHEMBL2570534 0.85 ALDH1A1 (0.51) LPLLIPGALDH1A1PPARGPPARA

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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP LPL 1000/4885LIPG 1070/4885MEN1 4323/4885

“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.