SCHEMBL3842281

SCHEMBL3842281

O=C=Nc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.51
MAPK1 P28482 3/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PDE7A Q13946 8/20 0.43
PDE7B Q9NP56 4/20 0.43
KIF18A Q8NI77 1/20 0.42
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL8735930 0.88 VCAM1 (0.53) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL3842208 0.86 MAPK1 (0.55) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL8677779 0.85 CYP3A4 (0.49) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL27638317 0.85 VCAM1 (0.50) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL124224 0.81 CYP3A4 (0.49) MAPK1TSHRALDH1A1LMNAPOLB
SCHEMBL29389795 0.81 CYP3A4 (0.49) MAPK1TSHRALDH1A1LMNAPOLB
SCHEMBL8862330 0.81 TDP1 (0.52) MAPK1TSHRALDH1A1LMNANPSR1
SCHEMBL5868800 0.79 TDP1 (0.34) MAPK1TSHRALDH1A1POLB
SCHEMBL1019385 0.79 TDP1 (0.50) VCAM1MAPK1ALDH1A1L3MBTL1PDE7A
SCHEMBL3839311 0.79 CYP3A4 (0.56) MAPK1TSHRALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110068616-B Normal phase chromatographic analysis method for 4-chlorine-2 nitrophenyl isocyanate and reaction liquid thereof 联化科技股份有限公司 2022-06-03 CN claimed
CN-110068616-A The normal-phase chromatography analysis method of chloro- 2 nitrophenyl isocyanate of 4- and its reaction solution 联化科技股份有限公司 2019-07-30 CN claimed
CN-101356165-A Process for preparing gemcitabine and related intermediates CHEMAGIS LTD (IL) 2009-01-28 CN claimed
US-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-10-25 US claimed
WO-2007070804-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-06-21 WO claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-20240150515-A1 Low Viscosity Catalyst Compositions for Producing Isocyanurate Polymers COVESTRO DEUTSCHLAND AG (DE) 2024-05-09 US disclosed
EP-4298140-A1 LOW VISCOSITY CATALYST COMPOSITIONS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-01-03 EP disclosed
CN-116917364-A Low viscosity catalyst composition for producing isocyanurate polymers 科思创德国股份有限公司 2023-10-20 CN disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
EP-0860433-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 1998-08-26 EP disclosed
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed
EP-0816309-A1 Scavenger assisted combinatorial process for preparing libraries of urea and thiourea compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 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-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES DPYD, PARP1, PARP2 VCAM1 4557/4885MAPK1 4251/4885TSHR 3464/4885

“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.