SCHEMBL170732

SCHEMBL170732

Nc1ccc2c(c1Cl)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
AOC3 Q16853 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP19A1 P11511 3/20 0.34
MAPK1 P28482 1/20 0.34
NQO2 P16083 2/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL2195125 0.78 NQO2 (0.42) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL11547575 0.78 TXNRD1 (0.39) TXNRD1TXNRD3TXNRD2ABCG2AOC3
Hydrochloric Acid SCHEMBL31668880 0.77 TXNRD1 (0.38) TXNRD1TXNRD3TXNRD2ABCG2AOC3
Hydrochloric Acid SCHEMBL30749426 0.77 TXNRD1 (0.38) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL174080 0.75 TXNRD1 (0.37) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL8587914 0.75 NQO2 (0.44) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL30072905 0.75 TXNRD1 (0.37) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL14720885 0.75 AOC3 (0.42) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL12613198 0.75 AOC3 (0.42) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL767958 0.75 AOC3 (0.50) TXNRD1TXNRD3TXNRD2ABCG2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611797-B1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO LTD (KR) 2016-12-28 EP disclosed
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 US disclosed
EP-2611797-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS Hanmi Science Co., Ltd. (KR) 2013-07-10 EP disclosed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 US disclosed
WO-2012030160-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI HOLDINGS CO., LTD. (KR) 2012-03-08 WO disclosed
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 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-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS CASP7, API5, BAX TXNRD1 2023/4885TXNRD3 2990/4885TXNRD2 2201/4885
US-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 TXNRD1 969/4885TXNRD3 916/4885TXNRD2 714/4885

“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.