SCHEMBL5968

SCHEMBL5968

N#Cc1cccc([N+](=O)[O-])c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.54
TDP1 Q9NUW8 5/20 0.46
PIN1 Q13526 1/20 0.45
GPR35 Q9HC97 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
GRIA1 P42261 2/20 0.40
GRIA2 P42262 2/20 0.40
GRIA3 P42263 2/20 0.40
GRIA4 P48058 2/20 0.40
MAPT P10636 2/20 0.40
GRM6 O15303 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2476425 0.83 VCAM1 (0.61) VCAM1TDP1PIN1GPR35ALDH1A1
SCHEMBL5222485 0.83 TDP1 (0.47) VCAM1TDP1GPR35ALDH1A1HPGD
SCHEMBL16958511 0.81 TDP1 (0.46) VCAM1TDP1GPR35ALDH1A1HPGD
SCHEMBL56638 0.80 VCAM1 (0.56) VCAM1TDP1PIN1GPR35ALDH1A1
SCHEMBL29382907 0.80 VCAM1 (0.56) VCAM1TDP1PIN1GPR35ALDH1A1
SCHEMBL1460867 0.80 TDP1 (0.61) VCAM1TDP1GPR35ALDH1A1HPGD
SCHEMBL30694393 0.79 VCAM1 (0.47) VCAM1TDP1PIN1GPR35ALDH1A1
SCHEMBL622040 0.79 GPR35 (0.53) VCAM1TDP1PIN1GPR35ALDH1A1
SCHEMBL220318 0.79 VCAM1 (0.47) VCAM1TDP1PIN1GPR35ALDH1A1
SCHEMBL11032914 0.79 ALDH1A1 (0.49) VCAM1TDP1PIN1GPR35ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5339364-A None JP disclosed
US-20260109709-A1 2-AMINO IMIDAZOLE DERIVATIVES AS PRMT5 INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-04-23 US disclosed
CN-121735780-A Preparation method of 2-fluoro-3-nitrobenzoic acid compound 内蒙古宜达化学科技有限公司 2026-03-27 CN disclosed
US-20240400556-A1 AMIDOPYRIMIDONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-12-05 US disclosed
CN-118974035-A 2-Aminoimidazole derivatives as PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-11-15 CN disclosed
EP-4426690-A2 2-AMINO IMIDAZOLE DERIVATIVES AS PRMT5 INHIBITORS Mirati Therapeutics, Inc. (US) 2024-09-11 EP disclosed
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 EP disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
EP-3557998-B1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-08-16 EP disclosed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 WO disclosed
US-5633384-A FROM O-ALKYLTHIOBENZONITRILES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-27 US disclosed
US-5616594-A Triazole derivatives, insecticide, acaricide and methods thereof IHARA CHEMICAL INDUSTRY CO. LTD. (JP) 1997-04-01 US disclosed
EP-0702008-A2 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-03-20 EP disclosed
EP-0648752-A1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed
JP-H05339364-A PRODUCTION OF AROMATIC POLYETHERNITRILE IDEMITSU KOSAN CO LTD 1993-12-21 JP disclosed
EP-0272728-B1 PROCESS FOR THE PREPARATION OF POLYMERS OF C0 AND OLEFINICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-04-07 EP disclosed
EP-0272728-A2 Process for the preparation of polymers of C0 and olefinically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-06-29 EP disclosed
US-4003909-A [(1,2,4-Oxadiazol-3-yl)phenyl]carbamic or thiocarbamic acid esters E. R. SQUIBB & SONS, INC. (US) 1977-01-18 US disclosed
US-3950525-A BRONCHODILATION, 4-HYDROXY-6-ARYL PYRIMIDINES PFIZER INC. (US) 1976-04-13 US 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-20260109709-A1 2-AMINO IMIDAZOLE DERIVATIVES AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 VCAM1 3756/4885TDP1 963/4885PIN1 3362/4885
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 VCAM1 2952/4885TDP1 415/4885PIN1 963/4885
US-20240400556-A1 AMIDOPYRIMIDONE DERIVATIVES F12, XDH, CYP3A43 VCAM1 4849/4885TDP1 1768/4885PIN1 1376/4885

“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.