SCHEMBL6087751

SCHEMBL6087751

C=C(c1ncc[nH]1)c1ccccc1OCc1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
FABP5 Q01469 1/20 0.48
CYP1A2 P05177 5/20 0.43
CYP2C9 P11712 5/20 0.43
CYP2C19 P33261 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
PTGER1 P34995 5/20 0.42
HPD P32754 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
MAPT P10636 4/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9825372 0.77 FABP3 (0.57) FABP3FABP4FABP5CYP1A2CYP2C9
SCHEMBL697561 0.76 KMT2A (0.44) KMT2AMEN1L3MBTL1MAPTKDM4E
SCHEMBL9825700 0.75 FABP3 (0.55) FABP3FABP4FABP5CYP1A2CYP2C9
SCHEMBL11703352 0.74 FABP3 (0.46) FABP3FABP4FABP5CYP1A2CYP2C9
SCHEMBL705111 0.74 KMT2A (0.48) CYP1A2CYP2C19KMT2ACYP2D6L3MBTL1
SCHEMBL5839484 0.73 FABP3 (0.78) FABP3FABP4FABP5CYP1A2CYP2C9
SCHEMBL30680200 0.72 HTR1A (0.72) FABP3FABP4FABP5CYP1A2CYP2C9
SCHEMBL395859 0.72 HTR1A (0.72) FABP3FABP4FABP5CYP1A2CYP2C9
SCHEMBL9824901 0.72 FABP3 (0.64) FABP3FABP4FABP5CYP1A2CYP2C9
SCHEMBL11703791 0.72 PTGER1 (0.45) FABP3FABP4FABP5CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087616-B2 Pyrazolyl pyrimidines BAYER CROPSCIENCE AG (DE) 2006-08-08 US disclosed
US-20040102465-A1 Pyrazolyl pyrimidines BAYER CROPSCIENCE AG (DE) 2004-05-27 US disclosed
US-20010018442-A1 Halogen pyrimidinyl aryl (thio)ethers as pesticides GAYER HERBERT (DE) 2001-08-30 US disclosed
EP-0984948-A1 SULFONYLOXADIAZOLONES BAYER AG (DE) 2000-03-15 EP disclosed
WO-1998047883-A1 SULFONYLOXADIAZOLONES BAYER AKTIENGESELLSCHAFT (DE) 1998-10-29 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 (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-20040102465-A1 Pyrazolyl pyrimidines ZYX, P2RX5, P2RX1 FABP3 4844/4885FABP4 4853/4885FABP5 4592/4885
US-20010018442-A1 Halogen pyrimidinyl aryl (thio)ethers as pesticides DDT, CYP4F2, TPMT FABP3 2729/4885FABP4 1305/4885FABP5 1128/4885

“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.