SCHEMBL2994780

SCHEMBL2994780

CN(C)C(=O)[C@H]1C[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.42
RORC P51449 2/20 0.41
MAOA P21397 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
OPRM1 P35372 1/20 0.39

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
SCHEMBL2994779 1.00 KMT2A (0.46) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL13275252 0.86 MEN1 (0.45) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL13275253 0.86 MEN1 (0.45) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL22821132 0.85 MEN1 (0.42) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL28567559 0.85 MEN1 (0.42) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL19734564 0.84 KMT2A (0.45) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL3709552 0.83 MEN1 (0.47) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL28689687 0.80 MEN1 (0.40) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL28683423 0.80 MEN1 (0.40) KMT2AMEN1NPC1RAB9ACA12
SCHEMBL22821135 0.80 ALDH1A1 (0.46) KMT2AMEN1NPC1RAB9ACA12

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
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 KMT2A 3206/4885MEN1 2257/4885NPC1 236/4885

“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.