SCHEMBL7678388

SCHEMBL7678388

COc1cc([Mg]Br)c(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
GAA P10253 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
PPOX P50336 2/20 0.39
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
CCR6 P51684 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 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
SCHEMBL6734902 0.79 LMNA (0.35) MAPTRAB9ALMNAMAPK1PTGS2
SCHEMBL31118436 0.75 NPC1 (0.45) NPC1GAATAAR1PPOXMAPT
SCHEMBL1223997 0.75 NPC1 (0.45) NPC1GAATAAR1PPOXMAPT
SCHEMBL6718195 0.75 NPC1 (0.45) NPC1GAATAAR1PPOXMAPT
SCHEMBL1098584 0.72 NPC1 (0.47) NPC1GAATAAR1PPOXMAPT
SCHEMBL1552822 0.71 GAA (0.45) NPC1GAATAAR1PPOXMAPT
SCHEMBL1224878 0.71 NPC1 (0.67) NPC1GAATAAR1PPOXMAPT
SCHEMBL1098582 0.71 NPC1 (0.45) NPC1GAATAAR1PPOXMAPT
SCHEMBL21614370 0.71 NPC1 (0.45) NPC1GAATAAR1PPOXMAPT
SCHEMBL32675249 0.71 NPC1 (0.45) NPC1GAATAAR1PPOXMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420314-B1 GRIGNARD ARYLATION OF A 3-FLUOROPYRIDINE; DESICCANTS, DEFOLIANTS; SELECTIVITY; ACTING AGAINST BROAD-LEAF AND GRASS WEEDS IN CROPS SUCH AS WHEAT, RICE, MAIZE, SOYA AND COTTON BASF AKTIENGESELLSCHAFT (DE) 2002-07-16 US disclosed
US-6407245-B2 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-06-18 US disclosed
US-20010012897-A1 Substituted thiopyridines HAMPRECHT GERHARD (DE) 2001-08-09 US disclosed
US-6262273-B1 REACTING A3-CHLORO-2-HALOPYRIDINE WITH THIO COMPOUND IN PRESENCE OF TRIFLUOROACETIC ACID OR PERCHLORIC ACID TO GIVE PYRIDINE THIOETHER COMPOUND WHICH IS OXIDIZED TO GIVE THIOPYRIDINE COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed
US-6169184-B1 REACTING SUBSTITUTED PYRIDINE WITH SPECIFIED ARYL COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2001-01-02 US disclosed
EP-0984933-A1 SUBSTITUTED 2-PHENYL PYRIDINES, THEIR MANUFACTURE AND USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-03-15 EP disclosed
EP-0934275-A1 SUBSTITUTED THIOPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1999-08-11 EP disclosed
EP-0931068-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED PHENYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1999-07-28 EP disclosed
WO-1998054137-A1 SUBSTITUTED 2-PHENYL PYRIDINES, THEIR MANUFACTURE AND USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-12-03 WO disclosed
WO-1998011072-A1 SUBSTITUTED THIOPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1998-03-19 WO disclosed
WO-1998011069-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED PHENYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1998-03-19 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-20010012897-A1 Substituted thiopyridines CBR1, CLIC1, CBR3 NPC1 334/4885GAA 4757/4885TAAR1 151/4885

“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.