SCHEMBL356063

SCHEMBL356063

O=[N+]([O-])c1cccc(CCl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 1.00
LMNA P02545 3/20 0.61
ALDH1A1 P00352 6/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ACHE P22303 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
HSP90AA1 P07900 1/20 0.50
PYCR1 P32322 1/20 0.50
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL9710728 1.00 TSHR (1.00) TSHRLMNAALDH1A1TDP1CYP1A2
Sulfuric Acid SCHEMBL11120128 0.91 TSHR (0.83) TSHRLMNAALDH1A1TDP1CYP1A2
Dinitrophenylene SCHEMBL27264981 0.89 TSHR (0.79) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL365344 0.85 TSHR (0.73) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL10918542 0.83 TSHR (0.71) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL1935375 0.82 TSHR (0.69) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL16744040 0.82 TSHR (0.69) TSHRLMNAALDH1A1TDP1CYP1A2
Nitrobenzene SCHEMBL11242644 0.82 TSHR (0.69) TSHRLMNAALDH1A1CYP1A2CYP2D6
SCHEMBL8713184 0.82 TSHR (0.69) TSHRLMNAALDH1A1TDP1CYP1A2
SCHEMBL94845 0.82 TSHR (0.69) TSHRLMNAALDH1A1TDP1CYP1A2

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 1048 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478045-B Method for synthesizing nitrobenzoic acid by one-step oxidation of nitrobenzyl chloride 南昌大学 2025-02-07 CN claimed
CN-116478045-A Method for synthesizing nitrobenzoic acid by one-step oxidation of nitrobenzyl chloride 南昌大学 2023-07-25 CN claimed
CN-110540526-B Carane acidyl 1,2, 3-triazole compound and preparation method and application thereof 广西大学 2022-08-30 CN claimed
CN-114773989-A Anti-silver colloid diffusion agent, preparation method and application thereof 苏州瑞港环保科技有限公司 2022-07-22 CN claimed
US-10590145-B2 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent SHANDONG UNIVERSITY (CN) 2020-03-17 US claimed
US-20200031844-A1 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent SHANDONG UNIVERSITY (CN) 2020-01-30 US claimed
CN-110540526-A Carane acidyl 1,2, 3-triazole compound and preparation method and application thereof UNIV GUANGXI 2019-12-06 CN claimed
CN-109265351-A A kind of preparation method of the chloro- 5- nitro-toluene of 2- 沈阳化工研究院有限公司 2019-01-25 CN claimed
CN-104892468-A Preparation method of sodium 6-chloro-3-nitromethylbenzoyl-4-sulfonate UNIV TIANJIN 2015-09-09 CN claimed
CN-102702043-B Method for preparing CLT acid (6-chloro-3-nitrotoluene-4-sulfonic acid) by continuous hydrogenation reduction of 6-chloro-3-nitrotoluene-4-sulfonicacid liquid phase NINGBO INST MAT TECH & ENG CAS 2015-04-29 CN claimed
EP-0045570-B1 USE OF ORGANIC HALOGEN COMPOUNDS TO REDUCE OR PREVENT FOG IN NEGATIVE-WORKING SILVER HALIDE EMULSIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-09-28 EP claimed
EP-0024665-B1 DIISOCYANATES OR MIXTURES OF DIISOCYANATES OF THE DIPHENYL-METHANE SERIES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS A SYNTHESIS COMPONENT TO PRODUCE POLYURETHANE PLASTICS ACCORDING TO THE ISOCYANATE-POLYADDITION PROCESS BAYER AG (DE) 1982-05-05 EP claimed
US-4323645-A Organic halogen compounds for negative-working silver halide emulsions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-04-06 US claimed
EP-0046917-A1 Polyisocyanate mixtures of the diphenylmethane class, as well as their use as synthesis components in the manufacture of polyurethanes by the isocyanate-polyaddition process BAYER AG (DE) 1982-03-10 EP claimed
EP-0045570-A1 Use of organic halogen compounds to reduce or prevent fog in negative-working silver halide emulsions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-10 EP claimed
EP-0016061-A4 ORGANIC HALOGEN COMPOUNDS USED IN DIRECT POSITIVE EMULSIONS. DU PONT (US) 1981-08-27 EP claimed
US-4257915-A USE IN PHOTOPOLYMERIZATION OF ETHYLENICALLY UNSATURATED MONOMERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 US claimed
EP-0024665-A1 Diisocyanates or mixtures of diisocyanates of the diphenyl-methane series, process for their preparation and their use as a synthesis component to produce polyurethane plastics according to the isocyanate-polyaddition process BAYER AG (DE) 1981-03-11 EP claimed
EP-0016061-A1 ORGANIC HALOGEN COMPOUNDS USED IN DIRECT POSITIVE EMULSIONS. DU PONT (US) 1980-10-01 EP claimed
WO-1980000040-A1 ORGANIC HALOGEN COMPOUNDS USED IN DIRECT POSITIVE EMULSIONS DU PONT (US) 1980-01-10 WO 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-10590145-B2 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent TYMP, DPYD, TPMT TSHR 4771/4885LMNA 4779/4885ALDH1A1 931/4885
US-20200031844-A1 Tetrahydrothiopyranopyrimidine derivatives as anti-HIV agent TYMP, DPYD, TPMT TSHR 4771/4885LMNA 4779/4885ALDH1A1 931/4885

“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.