SCHEMBL5050812

SCHEMBL5050812

CC(C)C(=O)Nc1ccc(Cl)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 4/20 0.55
RECQL P46063 1/20 0.55
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
GLA P06280 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL11402078 0.84 EPHX1 (0.63) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL14426542 0.81 ALDH1A1 (0.56) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL11026747 0.81 KMT2A (0.53) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL158280 0.81 NPC1 (0.60) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL31567937 0.81 NPC1 (0.60) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL11380572 0.80 NPC1 (0.60) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL20489831 0.80 ALDH1A1 (0.55) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9191915 0.79 NPC1 (0.58) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4089269 0.79 NPC1 (0.58) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL13390859 0.78 KDM4E (0.64) NPC1RAB9AKMT2AMEN1ALDH1A1

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-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 NPC1 2040/4885RAB9A 1181/4885KMT2A 3294/4885

“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.