SCHEMBL3019503

SCHEMBL3019503

O=[N+]([O-])c1ccc(-c2ccccc2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.58
POLB P06746 2/20 0.58
RAB9A P51151 1/20 0.58
PDE7A Q13946 3/20 0.55
PTGS2 P35354 2/20 0.55
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
PTPRC P08575 2/20 0.50
OPRK1 P41145 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
CES1 P23141 1/20 0.50
S100A4 P26447 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
GPR3 P46089 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL9733977 0.86 HSD17B10 (0.58) HSD17B10POLBRAB9APTGS2KMT2A
SCHEMBL27652680 0.86 HSD17B10 (0.58) HSD17B10POLBRAB9APDE7APTGS2
SCHEMBL10405791 0.85 HSD17B10 (0.72) HSD17B10POLBPDE7AKMT2AALDH1A1
SCHEMBL28207049 0.83 PTGS2 (0.73) POLBRAB9APTGS2KMT2AALDH1A1
SCHEMBL6391559 0.83 PTGS2 (0.69) POLBRAB9APTGS2KMT2AALDH1A1
SCHEMBL10426676 0.83 HSD17B10 (0.55) HSD17B10POLBRAB9AKMT2AALDH1A1
SCHEMBL16013792 0.83 HSD17B10 (0.55) HSD17B10POLBPTGS2KMT2AALDH1A1
SCHEMBL19175213 0.83 PDE7A (0.61) HSD17B10POLBRAB9APDE7AKMT2A
SCHEMBL28276250 0.81 HSD17B10 (0.53) HSD17B10POLBRAB9AKMT2AALDH1A1
SCHEMBL8382506 0.80 POLB (0.64) POLBRAB9APTGS2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105102449-A Antiviral compounds HOFFMANN LA ROCHE 2015-11-25 CN claimed
CN-109652098-A A kind of aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal display element 中节能万润股份有限公司 2019-04-19 CN disclosed
CN-109369641-A A kind of organic electroluminescence device compound 韩国高智株式会社 2019-02-22 CN disclosed
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed
EP-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
US-9693997-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-07-04 US disclosed
CN-105102449-B Antiviral compound 豪夫迈·罗氏有限公司 2017-06-13 CN disclosed
CN-106831433-A A kind of method for preparing nitro substituted biphenyl compound 华南农业大学 2017-06-13 CN disclosed
CN-104230719-B A kind of method preparing substituted biphenyl HUAZHONG NORMAL UNIVERSITY (CN) 2016-04-13 CN disclosed
CN-104230719-A Method for preparing substituted biphenyl UNIV HUAZHONG NORMAL 2014-12-24 CN disclosed
CN-102388037-B Quinazolinones as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV 2014-12-03 CN disclosed
WO-2014135495-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed
EP-2396316-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2011-12-21 EP disclosed
WO-2010093727-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-08-19 WO disclosed
US-20100204226-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 US disclosed
EP-0325892-B1 PROCESS FOR THE PREPARATION OF HALOGENATED PRIMARY AMINES CIBA-GEIGY AG (CH) 1993-02-03 EP disclosed
EP-0473552-A1 Process for the preparation of halogenated aromatic primary amines CIBA-GEIGY AG (CH) 1992-03-04 EP disclosed
US-4960936-A Process for the preparation of halogenated aromatic primary amines CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
EP-0325892-A2 Process for the preparation of halogenated primary amines CIBA-GEIGY AG (CH) 1989-08-02 EP 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-20100204226-A1 QUINAZOLINONES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, EGLN3, EGLN2 HSD17B10 249/4885POLB 387/4885RAB9A 1002/4885

“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.