SCHEMBL4072346

SCHEMBL4072346

C1=CNC=CC(NCc2ccccc2)=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FABP1 P07148 1/20 0.36
FABP6 P51161 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
EGFR P00533 1/20 0.35
KMT2A Q03164 2/20 0.35
THRB P10828 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
SCHEMBL27786356 0.69 HTT (0.33) HTT
SCHEMBL2648904 0.68 HTT (0.43) IDO1CYP1A2CYP2D6HTTHSD17B10
SCHEMBL16386250 0.68 VNN1 (0.40) IDO1CYP1A2CYP2D6HTTHSD17B10
SCHEMBL28026789 0.67 HTT (0.42) IDO1CYP1A2CYP2D6HTTHSD17B10
Diphenylmethane SCHEMBL28253789 0.62 CALM1 (0.60) IDO1LMNACYP1A2CYP2D6TSHR
SCHEMBL28034234 0.62 ALDH1A1 (0.33)
SCHEMBL30464743 0.61 HSD17B10 (0.71) IDO1CYP3A4MAPTTSHRHTT
SCHEMBL1924100 0.61 HTT (0.78) CYP3A4MAPTCYP1A2CYP2D6HTT
SCHEMBL22628164 0.61 HTT (0.71) CYP3A4CYP1A2CYP2D6HTTCA12
SCHEMBL4571036 0.61 HSD17B10 (0.71) IDO1CYP3A4MAPTTSHRHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1796793-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-05 EP disclosed
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 US disclosed
EP-1796793-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029154-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 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-20070293477-A1 Novel Compounds HRH4, TRPV4, TRPC4 IDO1 979/4885CYP3A4 90/4885MAPT 4199/4885

“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.