SCHEMBL1556931

SCHEMBL1556931

COc1ccc2c(Cl)ccnc2c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PDE4B Q07343 2/20 0.44
PDE1B Q01064 7/20 0.44
PDE1A P54750 2/20 0.43
PDE1C Q14123 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL31436390 1.00 KDM4E (0.45) KDM4EMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL996651 0.83 KDM4E (0.41) KDM4EMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL24010300 0.81 KDM4E (0.40) KDM4EMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL4369695 0.81 PDE4B (0.67) PDE4BPDE1BPDE4D
SCHEMBL10787135 0.79 ALDH1A1 (0.45) KDM4EMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL28446875 0.79 MEN1 (0.45) KDM4EMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL4379192 0.77 PDE4B (0.60) KDM4EALDH1A1HSD17B10PDE4BPDE1B
SCHEMBL2178344 0.77 HTR1A (0.59) KDM4EMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL26400701 0.77 PDE1B (0.45) KDM4EMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL22501504 0.76 KMT2A (0.60) KDM4EMEN1ALDH1A1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests BASF SE (DE) 2011-07-07 US disclosed
CN-102066368-A 1,2-benzisothiazole compounds useful for combating animal pests BASF SE 2011-05-18 CN disclosed
EP-2303874-A2 SULFONAMIDE COMPOUNDS BASF SE (DE) 2011-04-06 EP disclosed
EP-2069306-B1 QUINOLINYLMETHYL COMPOUNDS BASF SE (DE) 2010-05-12 EP disclosed
WO-2009153285-A2 SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-12-23 WO disclosed
US-20090280982-A1 Quinolinylmethyl Compounds BASF SE (DE) 2009-11-12 US disclosed
CN-101516851-A Quinolinylmethyl compounds BASF AG (DE) 2009-08-26 CN disclosed
EP-2069306-A1 QUINOLINYLMETHYL COMPOUNDS BASF SE (DE) 2009-06-17 EP disclosed
CN-101443313-A Quinoline derivatives and their use as pesticides BASF SE (DE) 2009-05-27 CN disclosed
US-20090029855-A1 Quinoline Derivatives and Their Use as Pesticides BASF SE (DE) 2009-01-29 US disclosed
EP-2007727-A1 QUINOLINE DERIVATIVES AND THEIR USE AS PESTICIDES BASF SE (DE) 2008-12-31 EP disclosed
WO-2008031824-A1 QUINOLINYLMETHYL COMPOUNDS BASF SE (DE) 2008-03-20 WO disclosed
WO-2007104726-A1 QUINOLINE DERIVATIVES AND THEIR USE AS PESTICIDES BASF SE (DE) 2007-09-20 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 (3 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-20090280982-A1 Quinolinylmethyl Compounds CBR3, C1S, C5 KDM4E 1573/4885MEN1 2807/4885ALDH1A1 1812/4885
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests GLRX3, CBR3, PRDX1 KDM4E 4261/4885MEN1 3287/4885ALDH1A1 2095/4885
US-20090029855-A1 Quinoline Derivatives and Their Use as Pesticides CBR3, HCRTR1, HCAR3 KDM4E 4207/4885MEN1 2744/4885ALDH1A1 2286/4885

“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.