SCHEMBL897703

SCHEMBL897703

N#Cc1cccc([N+](=O)[O-])c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
GPR35 Q9HC97 3/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 3/20 0.40
TSHR P16473 3/20 0.40
GRIA1 P42261 2/20 0.40
GRIA2 P42262 2/20 0.40
GRIA3 P42263 2/20 0.40
GRIA4 P48058 2/20 0.40
CYP1A2 P05177 2/20 0.40
ALOX15 P16050 2/20 0.40
GRM6 O15303 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BLM P54132 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 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
SCHEMBL10825048 0.83 TDP1 (0.47) TDP1GPR35ALDH1A1HPGDMAPT
SCHEMBL16955661 0.81 TDP1 (0.45) TDP1GPR35ALDH1A1HPGDMAPT
SCHEMBL29382907 0.80 VCAM1 (0.56) VCAM1TDP1GPR35ALDH1A1HPGD
SCHEMBL56638 0.80 VCAM1 (0.56) VCAM1TDP1GPR35ALDH1A1HPGD
SCHEMBL3126302 0.80 GPR35 (0.65) TDP1GPR35ALDH1A1MAPTTSHR
SCHEMBL220318 0.79 VCAM1 (0.47) VCAM1TDP1GPR35ALDH1A1HPGD
SCHEMBL622040 0.79 GPR35 (0.53) VCAM1TDP1GPR35ALDH1A1HPGD
SCHEMBL30694393 0.79 VCAM1 (0.47) VCAM1TDP1GPR35ALDH1A1HPGD
Selenium SCHEMBL9501261 0.79 VCAM1 (0.55) VCAM1TDP1GPR35ALDH1A1HPGD
SCHEMBL6742110 0.78 VCAM1 (0.46) VCAM1TDP1GPR35ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142119-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-11 US disclosed
US-20220306578-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-09-29 US disclosed
EP-3613729-A1 TETRACYCLIC COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-26 EP disclosed
EP-3345903-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2019-10-09 EP disclosed
CN-110036004-A Inhibitors of cyclin dependent kinase 7(CDK7) 希洛斯医药品股份有限公司 2019-07-19 CN disclosed
CN-108430471-A Factor xia inhibitors 默沙东公司 2018-08-21 CN disclosed
EP-3345903-A1 TETRACYCLIC COMPOUNDS Chugai Seiyaku Kabushiki Kaisha (JP) 2018-07-11 EP disclosed
EP-2975024-B1 TETRACYCLIC COMPOUNDS CHUGAI PHARMACEUTICAL CO LTD (JP) 2018-03-28 EP disclosed
CN-107501099-A The adjusting control agent of ATP combination cassette transporters 沃泰克斯药物股份有限公司 2017-12-22 CN disclosed
CN-104788328-B The adjusting control agent of ATP combination cassette transporters 沃泰克斯药物股份有限公司 2017-09-12 CN disclosed
CN-103228631-B Kat II inhibitors PFIZER 2015-04-29 CN disclosed
CN-101891680-B Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-29 CN disclosed
CN-103641765-A Modulators of ATP-binding cassette transporters VERTEX PHARMA 2014-03-19 CN disclosed
CN-102459172-A Tetracyclic compounds CHUGAI PHARMACEUTICAL CO LTD 2012-05-16 CN disclosed
EP-2441753-A1 TETRACYCLIC COMPOUND Chugai Seiyaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed
US-20120083488-A1 TETRACYCLIC COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA 2012-04-05 US disclosed
CN-101935301-A Modulators of ATP-binding cassette transporters VERTEX PHARMA 2011-01-05 CN disclosed
CN-101891680-A The adjusting control agent of ATP- combination cassette transporters VERTEX PHARMA 2010-11-24 CN disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 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-20230142119-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 VCAM1 1166/4885TDP1 361/4885GPR35 2720/4885
US-20120083488-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 VCAM1 1166/4885TDP1 361/4885GPR35 2720/4885
US-20220306578-A1 TETRACYCLIC COMPOUND ALK, TTR, ACVR1 VCAM1 1166/4885TDP1 361/4885GPR35 2720/4885

“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.