SCHEMBL10325841

SCHEMBL10325841

O=c1oc(-c2ccc(Br)cc2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 1.00
RAB9A P51151 4/20 1.00
RXFP1 Q9HBX9 1/20 1.00
ELANE P08246 2/20 0.78
ALDH1A1 P00352 9/20 0.67
KDM4E B2RXH2 7/20 0.67
MAPT P10636 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
LMNA P02545 1/20 0.67
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
C1R P00736 3/20 0.63
TP53 P04637 3/20 0.62
POLB P06746 1/20 0.61
PTK2B Q14289 1/20 0.61
F2 P00734 2/20 0.60
HPGD P15428 3/20 0.58
XBP1 P17861 1/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL29456973 0.92 ELANE (0.93) NPC1RAB9ARXFP1ELANEALDH1A1
SCHEMBL125184 0.92 ELANE (0.93) NPC1RAB9ARXFP1ELANEALDH1A1
SCHEMBL12212888 0.90 ELANE (0.89) NPC1RAB9ARXFP1ELANEALDH1A1
SCHEMBL3254378 0.90 ELANE (0.89) NPC1RAB9ARXFP1ELANEALDH1A1
SCHEMBL273036 0.88 ELANE (0.93) NPC1RAB9ARXFP1ELANEALDH1A1
SCHEMBL272702 0.88 ELANE (1.00) NPC1RAB9ARXFP1ELANEALDH1A1
SCHEMBL29382161 0.88 ELANE (1.00) NPC1RAB9ARXFP1ELANEALDH1A1
SCHEMBL913962 0.84 ELANE (0.78) NPC1RAB9ARXFP1ELANEALDH1A1
SCHEMBL914482 0.84 NPC1 (1.00) NPC1RAB9ARXFP1ELANEALDH1A1
SCHEMBL30084714 0.84 ELANE (0.78) NPC1RAB9ARXFP1ELANEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2663311-A2 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2013-11-20 EP disclosed
US-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-11-14 US disclosed
US-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-11-14 US disclosed
US-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-11-14 US disclosed
WO-2012096928-A2 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-07-19 WO disclosed
WO-2012096928-A2 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-07-19 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-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS FASN, FPGS, DHPS NPC1 1827/4885RAB9A 3671/4885RXFP1 4434/4885

“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.