SCHEMBL4513207

SCHEMBL4513207

CCCc1cc(Br)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.40
KDM4E B2RXH2 3/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 4/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
EDNRB P24530 2/20 0.34
EDNRA P25101 2/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL10408209 0.88 SKP2 (0.50) SKP2KDM4EGLAMAPTNPC1
SCHEMBL10408038 0.86 SKP2 (0.44) SKP2MAPTNPC1LMNARAB9A
SCHEMBL10407964 0.85 SKP2 (0.43) SKP2MAPTNPC1LMNARAB9A
SCHEMBL28110905 0.85 SKP2 (0.43) SKP2MAPTNPC1LMNARAB9A
SCHEMBL19829362 0.85 SKP2 (0.43) SKP2MAPTNPC1LMNARAB9A
SCHEMBL4437659 0.83 EDNRB (0.37) SKP2KDM4EGLAMAPTMEN1
SCHEMBL382588 0.83 MAPT (0.47) KDM4EGLAMAPTNPC1LMNA
SCHEMBL2015922 0.81 HTR2A (0.49) KDM4EGLAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL4763076 0.81 MAPT (0.46) KDM4EGLAMAPTNPC1LMNA
SCHEMBL31413498 0.81 HTR2A (0.49) KDM4EGLAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035777-B2 Heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-31 US disclosed
US-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-09-14 US disclosed
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2014-07-03 US disclosed
US-8710085-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2014-04-29 US disclosed
US-8476268-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
WO-2012152983-A1 PHENYL- SULFONYL DERIVATIVES AS MEDIATORS OF TRPA1 RECEPTOR ACTIVITY FOR THE TREATMENT OF PAIN ORION CORPORATION (FI) 2012-11-15 WO disclosed
EP-2520566-A1 New Pharmaceutical Compounds Orion Corporation (FI) 2012-11-07 EP disclosed
US-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-10-18 US disclosed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
US-4925984-A REACTION WITH BROMINE IN SOLUTION ETHYL CORPORATION (US) 1990-05-15 US disclosed
US-3948950-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-04-06 US disclosed
US-3942972-A Dioxolane substituted α-haloanilides as herbicides VELSICOL CHEMICAL CORPORATION (US) 1976-03-09 US disclosed
US-3940259-A Dioxane substituted-α-haloanilides as herbicides VELSICOL CHEMICAL CORPORATION (US) 1976-02-24 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 (5 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-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD SKP2 1009/4885KDM4E 1306/4885GLA 2237/4885
US-20140186469-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD SKP2 1009/4885KDM4E 1306/4885GLA 2237/4885
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB SKP2 653/4885KDM4E 1062/4885GLA 1504/4885
US-20170260145-A1 HETEROCYCLIC KINASE INHIBITORS AAK1, NCK1, DAPK2 SKP2 250/4885KDM4E 1264/4885GLA 4627/4885
US-10035777-B2 Heterocyclic kinase inhibitors AAK1, NCK1, DAPK2 SKP2 250/4885KDM4E 1264/4885GLA 4627/4885

“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.