SCHEMBL275086

SCHEMBL275086

COC(=O)c1cccc2cc(CBr)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.48
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
PDE4B Q07343 1/20 0.45
SCN9A Q15858 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPK8 P45983 1/20 0.41

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
SCHEMBL345117 0.88 DHODH (0.50) DHODHPDE4BSCN9AALDH1A1KDM4E
SCHEMBL27592569 0.87 CA12 (0.53) DHODHPDE4BSCN9AALDH1A1KDM4E
SCHEMBL6235824 0.85 CYP4F2 (0.38) DHODHCYP4F2CYP4A11KDM4EHPGD
SCHEMBL344926 0.84 DHODH (0.53) DHODHCYP4F2CYP4A11PDE4BSCN9A
SCHEMBL273388 0.84 AKR1B1 (0.54) DHODHPDE4BSCN9AALDH1A1KDM4E
SCHEMBL272907 0.83 DHODH (0.47) DHODHPDE4BSCN9AALDH1A1KDM4E
SCHEMBL345007 0.82 DHODH (0.54) DHODHCYP4F2CYP4A11PDE4BSCN9A
SCHEMBL343997 0.81 DHODH (0.56) DHODHCYP4F2CYP4A11MAPK8
SCHEMBL819329 0.80 L3MBTL1 (0.50) PDE4BSCN9AALDH1A1KDM4EHPGD
SCHEMBL344375 0.80 DHODH (0.55) DHODHCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US disclosed
US-8133886-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-03-13 US disclosed
EP-2371822-A1 Heterobicyclic carboxamides as inhibitors for kinases Novartis AG (CH) 2011-10-05 EP disclosed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 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 (3 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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS DHODH 2404/4885CYP4F2 2647/4885CYP4A11 3198/4885
US-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN DHODH 1041/4885CYP4F2 2359/4885CYP4A11 3001/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 DHODH 2882/4885CYP4F2 3010/4885CYP4A11 4211/4885

“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.