SCHEMBL641989

SCHEMBL641989

O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.77
POLB P06746 2/20 0.75
RAB9A P51151 5/20 0.73
NPC1 O15118 4/20 0.73
MAPT P10636 2/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
HCAR3 P49019 1/20 0.70
ALDH1A1 P00352 3/20 0.68
MAPK1 P28482 2/20 0.65
GLA P06280 1/20 0.65
CASP3 P42574 1/20 0.65
HTT P42858 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
KCNMA1 Q12791 1/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.63
GAA P10253 2/20 0.61

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
SCHEMBL6958604 0.89 PHGDH (0.76) PHGDHPOLBRAB9ANPC1MAPT
SCHEMBL27847056 0.87 PHGDH (0.74) PHGDHPOLBRAB9ANPC1MAPT
SCHEMBL10354307 0.87 NPC1 (0.74) PHGDHPOLBRAB9ANPC1MAPT
SCHEMBL28793942 0.86 PHGDH (0.64) PHGDHPOLBRAB9ANPC1MAPT
SCHEMBL1335449 0.86 POLB (1.00) PHGDHPOLBRAB9ANPC1MAPT
SCHEMBL4251730 0.85 MAPT (1.00) POLBRAB9ANPC1MAPTL3MBTL1
SCHEMBL10376329 0.85 PHGDH (0.70) PHGDHPOLBRAB9ANPC1MAPT
SCHEMBL2414416 0.85 PHGDH (0.70) PHGDHPOLBRAB9ANPC1MAPT
SCHEMBL6169544 0.85 NPC1 (0.78) PHGDHPOLBRAB9ANPC1MAPT
SCHEMBL175272 0.84 MEN1 (0.71) PHGDHPOLBRAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121293160-A Simple preparation method of benzimidazole compound 浙江科技大学 2026-01-09 CN disclosed
CN-109836378-B Sphingomyelin synthase inhibitor, preparation method and application thereof 上海华汇拓医药科技有限公司 2022-09-30 CN disclosed
CN-110041272-B 2- (2-chlorphenyl) quinazoline-4 (3H) -ketone derivative and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2020-10-30 CN disclosed
CN-110041273-B 2- (2-chloro-4-methylphenyl) quinazoline-4 (3H) -ketone compound and medical application thereof 中国人民解放军军事科学院军事医学研究院 2020-10-20 CN disclosed
CN-110041272-A 2- (2- chlorphenyl) quinazoline -4 (3H) -one analog derivative and its preparation method and application 中国人民解放军军事科学院军事医学研究院 2019-07-23 CN disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
EP-1390340-B1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INST TECHNOLOGY (US) 2017-03-01 EP disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 US disclosed
US-6630598-B2 Reacting nitroaniline compound with acid chloride/anhydride in presence of alkali metal/earth metal compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-07 US disclosed
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US disclosed
WO-2002085838-A1 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-10-31 WO disclosed
US-20020016506-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED 2002-02-07 US disclosed
EP-1172356-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-16 EP disclosed
EP-0662074-A1 PROCESS FOR PREPARING P-NITROAROMATIC AMIDES AND PRODUCTS THEREOF. MONSANTO CO (US) 1995-07-12 EP disclosed
WO-1993024447-A1 PROCESS FOR PREPARING P-NITROAROMATIC AMIDES AND PRODUCTS THEREOF MONSANTO COMPANY (US) 1993-12-09 WO disclosed
EP-0232972-B1 NEGATIVE PHOTORESIST COMPOSITIONS AND PROCESSES FOR PREPARING THERMALLY STABLE, NEGATIVE IMAGES USING THEM ROHM AND HAAS COMPANY (US) 1993-09-08 EP disclosed
EP-0232972-A2 Negative photoresist compositions and processes for preparing thermally stable, negative images using them ROHM AND HAAS COMPANY (US) 1987-08-19 EP disclosed
US-4074046-A REACTING NITROGENEOUS COMPOUND WITH CARBON MONOXIDE AMERICAN CYANAMID COMPANY (US) 1978-02-14 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 (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-20020016506-A1 Process for producing N-acylnitroaniline derivative NAAA, NAT1, ACOT7 PHGDH 952/4885POLB 3496/4885RAB9A 1690/4885
US-20030065187-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds ADH5, CBR3, ALDH3A1 PHGDH 2532/4885POLB 3522/4885RAB9A 3411/4885

“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.