SCHEMBL2950121

SCHEMBL2950121

N#Cc1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 4/20 0.50
▸ HPGD P15428 2/20 0.46
▸ TDP1 Q9NUW8 5/20 0.45
▸ GPR35 Q9HC97 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ MERTK Q12866 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL21957846 1.00 VCAM1 (0.50) VCAM1HPGDTDP1GPR35ALDH1A1
SCHEMBL21961905 0.93 TDP1 (0.49) VCAM1HPGDTDP1GPR35ALDH1A1
SCHEMBL618153 0.86 TDP1 (0.54) VCAM1HPGDTDP1GPR35ALDH1A1
SCHEMBL13982690 0.83 HPGD (0.47) VCAM1HPGDTDP1GPR35ALDH1A1
SCHEMBL8313813 0.83 VCAM1 (0.56) VCAM1HPGDTDP1ALDH1A1MAPK1
Dichlobenil SCHEMBL7810801 0.81 GPR35 (0.66) VCAM1HPGDTDP1GPR35ALDH1A1
SCHEMBL9489473 0.80 VCAM1 (0.47) VCAM1HPGDTDP1ALDH1A1KDM4E
SCHEMBL13982723 0.80 HPGD (0.45) HPGDTDP1GPR35ALDH1A1KDM4E
SCHEMBL30694393 0.79 VCAM1 (0.47) VCAM1HPGDTDP1GPR35ALDH1A1
SCHEMBL220318 0.79 VCAM1 (0.47) VCAM1HPGDTDP1GPR35ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708322-B2 Process for preparation of 2,6-dichlorobenzonitrile ARYSTA LIFESCIENCE INC. (US) 2023-07-25 — — US claimed
CN-113038835-B Preparation method of 2, 6-dichlorobenzonitrile 爱利思达生命科学有限公司 2023-03-28 — — CN claimed
CN-113038835-A Preparation method of 2, 6-dichlorobenzonitrile 爱利思达生命科学有限公司 2021-06-25 — — CN claimed
WO-2020102716-A1 PROCESS FOR PREPARATION OF 2,6-DICHLOROBENZONITRILE ARYSTA LIFESCIENCE INC. (US) 2020-05-22 — — WO claimed
US-20200157043-A1 PROCESS FOR PREPARATION OF 2,6-DICHLOROBENZONITRILE ARYSTA LIFESCIENCE INC. (US) 2020-05-21 — — US claimed
CN-111116399-A Process for producing 2, 6-difluorobenzamide 杨向党 2020-05-08 — — CN claimed
CN-1107690-C Bimaleimide copolymerizing modifier and its preparing process UNIV SICHUAN UNION (CN) 2003-05-07 — — CN claimed
US-6336963-B1 INK COMPOSITION COMPRISING INK VEHICLE COMPRISING FIRST NITRILE COMPOUND HAVING FIRST VISCOSITY AT MELT TEMPERATURE, VISCOSITY MODIFIER COMPRISING SECOND NITRILE COMPOUND HAVING LOWER VISCOSITY AT MELT TEMPERATURE, COLORANT XEROX CORPORATION 2002-01-08 — — US claimed
CN-1251848-A Bimaleimide copolymerizing modifier and its preparing process UNIV SICHUAN UNION (CN) 2000-05-03 — — CN claimed
EP-0354444-B1 PROCESS FOR THE INTRODUCTION OF FLUORINE ON AROMATIC NUCLEUS BY NUCLEOPHILIC EXCHANGE BAYER AG (DE) 1993-01-20 — — EP claimed
EP-0243000-B1 POLYCYANOARYL ETHER, METHOD FOR PREPARING THE SAME AND USES THEREOF IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-10-03 — — EP claimed
US-4959487-A NITROAROMATIC HALIDE IDEMITSU KOSAN CO., LTD. (JP) 1990-09-25 — — US claimed
US-4780559-A Process for preparing organic fluorides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-25 — — US claimed
EP-0243000-A1 Polycyanoaryl ether, method for preparing the same and uses thereof IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-10-28 — — EP claimed
EP-0015427-B1 PROCESS FOR PRODUCING 2-CHLORO-6-NITROBENZONITRILE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-01-12 — — EP claimed
US-4285883-A Process for producing 2-chloro-6-nitrobenzonitrile NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-08-25 — — US claimed
EP-0006999-B1 A PROCESS FOR THE PRODUCTION OF 2-CHLOROBENZONITRILE DERIVATIVES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-04-01 — — EP claimed
US-4225534-A FROM CHLORINATED 2-NITROBENZONITRILES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1980-09-30 — — US claimed
EP-0015427-A1 Process for producing 2-chloro-6-nitrobenzonitrile NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1980-09-17 — — EP claimed
EP-0006999-A1 A process for the production of 2-chlorobenzonitrile derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1980-01-23 — — EP claimed

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-20200157043-A1 PROCESS FOR PREPARATION OF 2,6-DICHLOROBENZONITRILE DDT, DCUN1D4, DCUN1D2 VCAM1 4405/4885HPGD 1642/4885TDP1 4107/4885
US-11708322-B2 Process for preparation of 2,6-dichlorobenzonitrile DDT, DCUN1D2, DCUN1D4 VCAM1 4406/4885HPGD 1642/4885TDP1 4094/4885

“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.

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