SCHEMBL7103526

SCHEMBL7103526

O=Cc1cc(Cl)cc([N+](=O)[O-])c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.45
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
VCAM1 P19320 3/20 0.44
GPR35 Q9HC97 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 3/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43

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
SCHEMBL7510160 0.86 CYP3A4 (0.41) ERN1MAPTTDP1LMNAMEN1
SCHEMBL12104188 0.83 GPR35 (0.49) ERN1MAPTTDP1MEN1KMT2A
SCHEMBL28824827 0.81 MAPT (0.43) ERN1MAPTTDP1LMNAMEN1
SCHEMBL15783807 0.81 TDP1 (0.44) ERN1MAPTTDP1VCAM1GPR35
SCHEMBL15776986 0.81 MAPT (0.47) ERN1MAPTTDP1LMNAMEN1
SCHEMBL31730320 0.81 ERN1 (0.65) ERN1MAPTTDP1LMNAMEN1
SCHEMBL11210616 0.81 ERN1 (0.65) ERN1MAPTTDP1LMNAMEN1
SCHEMBL9452603 0.81 TSHR (0.59) MAPTTDP1LMNAMEN1HTT
SCHEMBL29005655 0.78 TSHR (0.56) ERN1MAPTTDP1LMNAMEN1
SCHEMBL13955634 0.78 CYP3A4 (0.72) MAPTTDP1LMNAVCAM1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113214182-B Benzisothiazole compound and preparation method thereof 佛山湘潭大学绿色智造研究院 2022-12-23 CN disclosed
CN-106536489-B Retinoid-related orphan receptor gamma modulators and uses thereof 葛兰素史密斯克莱知识产权发展有限公司 2020-02-07 CN disclosed
EP-3148975-B1 PIPERAZINE DERIVATIVES AS ROR-GAMMA MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-11-28 EP disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
WO-2015180612-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 WO disclosed
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
US-4456772-A Process for the preparation of optionally substituted fluoro-nitro-benzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1984-06-26 US disclosed
EP-0061113-B1 METHOD FOR THE PREPARATION OF OPTIONALLY SUBSTITUTED FLUORONITROBENZALDEHYDES BAYER AG (DE) 1984-06-06 EP disclosed
EP-0061113-A1 Method for the preparation of optionally substituted fluoronitrobenzaldehydes BAYER AG (DE) 1982-09-29 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 (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-20170197978-A1 NOVEL COMPOUNDS RORC, RORB, RORA ERN1 2621/4885MAPT 3279/4885TDP1 4606/4885
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A ERN1 1414/4885MAPT 4075/4885TDP1 2857/4885

“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.