SCHEMBL460010

SCHEMBL460010

O=[N+]([O-])NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN11 Q06124 1/20 0.47
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA14 Q9ULX7 2/20 0.45
ADH1B P00325 1/20 0.45
ADH1C P00326 1/20 0.45
ADH1A P07327 1/20 0.45
ADH7 P40394 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
IDO1 P14902 2/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 5/20 0.44

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
Hydrochloric Acid SCHEMBL6045117 0.98 MAPT (0.46) PTPRFPTPN2PTPN1PTPN11CA12
Bromide SCHEMBL17187557 0.98 PTPRF (0.46) PTPRFPTPN2PTPN1PTPN11CA12
Nitric Acid SCHEMBL10789117 0.94 IDO1 (0.45) PTPRFPTPN2PTPN1PTPN11CA12
Formic Acid SCHEMBL28995624 0.90 ADH1B (0.47) PTPRFPTPN2PTPN1PTPN11ADH1B
Sulfuric Acid SCHEMBL10790024 0.90 CA2 (0.47) PTPRFPTPN2PTPN1PTPN11CA12
SCHEMBL7861828 0.79 TSHR (0.50) PTPN1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL162873 0.78 SMN1; SMN2 (0.49) CA12CA2POLBSMN1; SMN2MEN1
SCHEMBL745087 0.77 IDO1 (0.50) CA12CA2CA7CA14ADH1B
Hydrochloric Acid SCHEMBL5874098 0.77 MAPT (0.48) CA12CA2POLBSMN1; SMN2MEN1
SCHEMBL20592079 0.75 SIGMAR1 (0.55) POLBMEN1KMT2AMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119438441-A Detection method of cyclosiloxane, phthalate plasticizer and nitrosamine in medicinal packaging material 重庆医药高等专科学校 2025-02-14 CN claimed
US-12209168-B2 Polyurethane foam premixes containing halogenated olefin blowing agents and foams made from same HONEYWELL INTERNATIONAL INC. (US) 2025-01-28 US claimed
CN-118048008-A Curable composition for build-up film AGC多材料美国有限公司 2024-05-17 CN claimed
CN-112457363-A Potato trisaccharide oleanolic acid saponin derivative and preparation method and application thereof 华南农业大学 2021-03-09 CN claimed
US-20210032430-A1 POLYURETHANE FOAM PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS AND FOAMS MADE FROM SAME SOLSTICE ADVANCED MATERIALS US, INC. 2021-02-04 US claimed
CN-110423297-A Asymmetric transition-metal catalyst of a kind of [C^N^O] three tooth chelating and preparation method thereof UNIV NANCHANG 2019-11-08 CN claimed
CN-109795989-A A method of it obtaining hydrochloride aqueous solution from the hydrogen chloride solution of sulfur-bearing and prepares alkali salt hydrochlorate 东南大学 2019-05-24 CN claimed
US-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-02-21 US claimed
EP-3429997-A1 N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS Bayer CropScience Aktiengesellschaft (DE) 2019-01-23 EP claimed
CN-109071444-A N- (cyanobenzyl) -6- (cyclopropyl-carbonylamino) -4- (phenyl) -pyridine-2-carboxamide derivatives and related compounds as pesticides and plant protection agents 拜耳作物科学股份公司 2018-12-21 CN claimed
WO-1986005178-A1 PROCESS FOR THE PREPARATION OF URETHANES CATALYTICA ASSOCIATES (US) 1986-09-12 WO claimed
WO-1986005179-A1 CARBONYLATION PROCESS CATALYTICA ASSOCIATES (US) 1986-09-12 WO claimed
US-4603216-A RUTHENIUM-PHOSPHINE CATALYST CATALYTICA ASSOCIATES (US) 1986-07-29 US claimed
US-4600793-A Process for the preparation of urethanes CATALYTICA ASSOCIATES (US) 1986-07-15 US claimed
EP-0157828-A1 PROCESS FOR THE PREPARATION OF URETHANES. CATALYTICA ASSOCIATES (US) 1985-10-16 EP claimed
WO-1985001285-A1 PROCESS FOR THE PREPARATION OF URETHANES CATALYTICA ASSOCIATES (US) 1985-03-28 WO claimed
US-4360480-A Aromatic diamino phosphoramides, thiophosphoramides and phosphoramidates A.T. RAMOT PLASTICS LTD. (IL) 1982-11-23 US claimed
EP-0000815-B1 PROCESS FOR PREPARING N-ARYL OR N-ARALKYL SUBSTITUTED URETHANES MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-01-27 EP claimed
US-4227008-A CATALYTIC REACTION OF A NITRO-, NITROSO-, OR CARBAMATE-CONTAINING AROMATIC PRIMARY AMINE, AN ALCOHOL, AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1980-10-07 US claimed
EP-0000815-A1 Process for preparing N-aryl or N-aralkyl substituted urethanes MITSUI TOATSU CHEMICALS, Inc. (JP) 1979-02-21 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 (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-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES CHRM1, CHRM2, ACHE PTPRF 995/4885PTPN2 1135/4885PTPN1 804/4885

“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.