SCHEMBL3979841

SCHEMBL3979841

NCCSc1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TAAR1 Q96RJ0 5/20 0.46
SOD1 P00441 1/20 0.46
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
CYB5R3 P00387 1/20 0.44
PNMT P11086 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
KIF11 P52732 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL5576227 0.76 CYP1A2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7247115 0.74 SOD1 (0.40) SOD1MAPTCYB5R3MEN1ALDH1A1
SCHEMBL2155165 0.73 SCN4A (0.55) TAAR1MAPTKDM4EMEN1ALDH1A1
SCHEMBL30417504 0.72 SOAT1 (0.39) SOD1KDM4EMEN1KMT2A
SCHEMBL8796941 0.71 SOD1 (0.44) CYP1A2TAAR1SOD1MAPTCYB5R3
SCHEMBL10655559 0.70 MAPT (0.37) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5043256 0.70 KIF11 (0.49) TAAR1KDM4EPNMTMEN1ALDH1A1
SCHEMBL2733980 0.70 CYP1A2 (0.63) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3979840 0.70 ALDH1A1 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19SOD1
SCHEMBL4304293 0.69 SOD1 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
EP-2059305-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE Novartis Ag (CH) 2009-05-20 EP disclosed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 CYP1A2 3442/4885CYP3A4 3053/4885CYP2D6 2496/4885

“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.