SCHEMBL3453300

SCHEMBL3453300

Clc1ccc(-c2ncccn2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.51
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.49
AHR P35869 1/20 0.47
EGLN2 Q96KS0 2/20 0.46
HSD11B1 P28845 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
NR4A2 P43354 1/20 0.44
TP53 P04637 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDCD1 Q15116 1/20 0.43

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
SCHEMBL28432909 0.81 AHR (0.45) GRM5MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27070680 0.79 RAB9A (0.47) MAPTSMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL31501737 0.79 ALDH1A1 (0.53) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL19814079 0.79 ALDH1A1 (0.53) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL25296424 0.79 MAPT (0.43) GRM5MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2562927 0.79 NOTUM (0.46) GRM5SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL18373402 0.79 NR4A2 (0.41) GRM5MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27631421 0.78 SMN1; SMN2 (0.45) GRM5MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2322004 0.78 NPC1 (0.69) GRM5MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30462821 0.78 MAPT (0.42) GRM5MAPTMEN1KMT2ASMN1; SMN2

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1326317-A Combinations of herbicides and safeners AVENTIS CROPSCIENCE GMBH (DE) 2001-12-12 CN claimed
EP-0561970-B1 ANTIDOTING HERBICIDAL 3-ISOXAZOLIDINONE COMPOUNDS ZENECA INC (US) 1995-01-18 EP claimed
EP-0561970-A1 ANTIDOTING HERBICIDAL 3-ISOXAZOLIDINONE COMPOUNDS. ZENECA INC (US) 1993-09-29 EP claimed
WO-1992010095-A1 ANTIDOTING HERBICIDAL 3-ISOXAZOLIDINONE COMPOUNDS ZENECA INC. (US) 1992-06-25 WO claimed
CN-110461157-A Herbicidal mixture BAYER AG 2019-11-15 CN disclosed
CN-110461833-A 2- amino -5- oxygroup alkyl derivative and its purposes for preventing and treating undesirable plant growth BAYER CROPSCIENCE AG 2019-11-15 CN disclosed
CN-109329286-B Binary Herbicidal combinations and its application comprising HPPD inhibitor class herbicide 青岛清原化合物有限公司 2019-11-08 CN disclosed
CN-110392680-A Substituted azolyl pyrrolidones and azolyl hydantoins and salts thereof and their use as herbicidal active substances 拜耳作物科学股份公司 2019-10-29 CN disclosed
CN-110337436-A Substituted 1,2,4- thiadiazolyl group pyrrolones and 1,2,4- thiadiazolyl group hydantoins and its salt and its purposes as herbicide 拜耳作物科学股份公司 2019-10-15 CN disclosed
CN-110267950-A Substituted heteroaryl pyrrolones and its salt and its purposes as herbicidal active compounds 拜耳作物科学股份公司 2019-09-20 CN disclosed
CN-110267951-A The purposes of substituted benzyl -4-aminopyridine formic acid esters and pyrimidine -4- formic acid esters, preparation method as well as herbicide and plant growth regulator 拜耳作物科学股份公司 2019-09-20 CN disclosed
CN-110087467-A Herbicidal combination 拜耳作物科学股份公司 2019-08-02 CN disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
WO-2004029204-A2 SUBSTITUTED PYRIMIDINES MERCK & CO., INC. (US) 2004-04-08 WO disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 WO disclosed
CN-1326317-A Combinations of herbicides and safeners AVENTIS CROPSCIENCE GMBH (DE) 2001-12-12 CN disclosed
US-5321000-A Benzhydryl compounds as herbicide antidotes MONSANTO COMPANY (US) 1994-06-14 US disclosed
US-5162537-A To safen acetamide herbicids used to control grassy and broadleaf weeds in rice, sorghum and wheat MONSANTO COMPANY (US) 1992-11-10 US disclosed
US-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 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 (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-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD GRM5 3254/4885MAPT 3532/4885MEN1 2039/4885

“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.