SCHEMBL5372145

SCHEMBL5372145

OCc1ccc(Cl)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.62
CYP1A2 P05177 3/20 0.62
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
GPR84 Q9NQS5 3/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR4A2 P43354 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
GCGR P47871 1/20 0.38

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
SCHEMBL15352644 0.86 CYP1A2 (0.62) CYP2A6CYP1A2KDM4EMAPK1LMNA
SCHEMBL29602459 0.84 CYP2A6 (0.48) CYP2A6KDM4ELMNATSHRNPC1
SCHEMBL431656 0.84 CYP2A6 (0.48) CYP2A6KDM4ELMNATSHRNPC1
SCHEMBL7915217 0.81 CYP2A6 (0.62) CYP2A6CYP1A2KMT2AATMGPR84
SCHEMBL6417657 0.79 CYP2A6 (0.59) CYP2A6CYP1A2KMT2AATMGPR84
SCHEMBL15345474 0.79 CYP2A6 (0.59) CYP2A6CYP1A2KMT2AATMGPR84
SCHEMBL8851365 0.79 CYP1A2 (0.59) CYP2A6CYP1A2KMT2AATMGPR84
SCHEMBL10409318 0.79 CYP2A6 (0.59) CYP2A6CYP1A2KMT2AATMGPR84
SCHEMBL14444102 0.79 CYP1A2 (0.59) CYP2A6CYP1A2KMT2AATMGPR84
SCHEMBL15352053 0.79 CYP1A2 (0.59) CYP2A6CYP1A2KMT2AATMGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018202681-A1 USE OF DISUBSTITUTED BENZENES TO CONTROL INSECTICIDE-RESISTANT PESTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-08 WO disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
WO-2013162077-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
US-7247756-B2 1,4-disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2007-07-24 US disclosed
US-6753429-B2 FOR USE AS INSECTICIDES AGAINST A VARIETY OF INSECTS, INCLUDING LARVAE, SUCH AS TOBACCO BUDWORM FMC CORPORATION 2004-06-22 US disclosed
US-20030207894-A1 1,4-Disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2003-11-06 US disclosed
EP-1334083-A2 1,4-DISUBSTITUTED BENZENES AS INSECTICIDES FMC CORPORATION (US) 2003-08-13 EP disclosed
US-20020183342-A1 1,4-Disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2002-12-05 US disclosed
WO-2002017712-A2 DISUBSTITUTED BENZENES AS INSECTICIDES FMC CORPORATION (US) 2002-03-07 WO disclosed
US-4923885-A PSORIASIS, GASTROINTESTINAL DISORDERS, SKIN DISORDERS; ANTICARCINOGENIC, ANTITUMOR, AND ANTIGROWTH AGENTS MERCK & CO., INC. (US) 1990-05-08 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 (2 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-20030207894-A1 1,4-Disubstituted benzenes as insecticides DDT, CYP1B1, CYP4B1 CYP2A6 90/4885CYP1A2 48/4885KMT2A 1607/4885
US-20020183342-A1 1,4-Disubstituted benzenes as insecticides DDT, CYP1B1, CYP4B1 CYP2A6 90/4885CYP1A2 48/4885KMT2A 1607/4885

“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.