SCHEMBL1173501

SCHEMBL1173501

CCCCc1[c]cccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.37
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR35 Q9HC97 1/20 0.35

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
SCHEMBL1173928 0.90 TDP1 (0.41) TDP1HSD17B10KMT2ASMN1; SMN2MEN1
SCHEMBL456245 0.83 TDP1 (0.44) TDP1HSD17B10KMT2ASMN1; SMN2MEN1
SCHEMBL8177418 0.81 POLB (0.42) TDP1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL6205052 0.78 TDP1 (0.42) TDP1HSD17B10KMT2ASMN1; SMN2MEN1
SCHEMBL5585097 0.76 TDP1 (0.41) TDP1HSD17B10KMT2ASMN1; SMN2MEN1
SCHEMBL11355163 0.75 NPC1 (0.42) TDP1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL1173502 0.74 ALDH1A1 (0.34) TDP1CYP3A4CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL815623 0.74 GABRA1 (0.34) CYP3A4CYP2C9
SCHEMBL30543045 0.74 ALDH1A1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19HSD17B10
SCHEMBL30543046 0.74 ALDH1A1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8475999-B2 Compound and photoresist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20110039209-A1 COMPOUND AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
US-20110039208-A1 PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
EP-0474955-B1 Process for the preparation of N-phosphonomethylglycine by means of an oxidation/dealkylation process MONSANTO CO (US) 1995-07-19 EP disclosed
EP-0474955-A1 Process for the preparation of N-phosphonomethylglycine by means of an oxidation/dealkylation process MONSANTO COMPANY (US) 1992-03-18 EP disclosed
US-5068404-A Heating aqueous solution of di- or tri-alkali metal salt of N-alkyl-N-phosphonomethylglycine MONSANTO COMPANY (US) 1991-11-26 US disclosed
US-4965403-A ALKALI METAL SALTS OF N-PHOSPHONOMETHYLGLYCINE MONSANTO COMPANY (US) 1990-10-23 US disclosed
EP-0186647-B1 PROCESS FOR PREPARING GLYPHOSATE AND GLYPHOSATE DERIVATIVES Monsanto Company (US) 1989-03-01 EP disclosed
EP-0187633-B1 THERMAL DEALKYLATION OF N-ALKYL N-PHOSPHONOMETHYLGLYCINE Monsanto Company (US) 1989-03-01 EP disclosed
US-4666500-A HERBICIDE MONSANTO COMPANY (US) 1987-05-19 US disclosed
US-4407763-A Thiosulfenamide derivatives of N-phosphonomethylglycinonitriles MONSANTO COMPANY (US) 1983-10-04 US disclosed
US-4407764-A HERBICIDES MONSANTO COMPANY (US) 1983-10-04 US disclosed
US-4405356-A Ester derivatives of N-arylsulfinyl-N-phosphonomethylglycinates as herbicides MONSANTO COMPANY (US) 1983-09-20 US disclosed
US-4401604-A Process for preparing thiosulfenamide derivatives of N-phosphonomethylglycine triesters MONSANTO COMPANY (US) 1983-08-30 US disclosed
US-4401455-A REACTING AN N-DIARYLPHOSPHONOMETHYL GLYCINE ESTER WITH AN ALKYL SULFENYL CHLORIDE; POSTEMERGENCE HERBICIDES MONSANTO COMPANY (US) 1983-08-30 US disclosed
US-4395374-A HERBICIDES, PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1983-07-26 US disclosed
US-4395276-A Thiosulfenamide derivatives of N-phosphonomethylglycinonitriles as herbicides MONSANTO COMPANY (US) 1983-07-26 US disclosed
EP-0055925-A2 Alkyl N-arylsulfenyl-N-diaryloxy-phosphinylmethylglycinates and their use as herbicides MONSANTO COMPANY (US) 1982-07-14 EP disclosed
US-4300943-A Ester derivatives of N-arylthio-N-phosphonomethylglycinonitrile MONSANTO COMPANY (US) 1981-11-17 US disclosed
US-4252554-A Herbicidal ester derivatives of N-arylthio-N-phosphonomethylglycinonitrile MONSANTO COMPANY (US) 1981-02-24 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 (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-20110039209-A1 COMPOUND AND PHOTORESIST COMPOSITION CONTAINING THE SAME RCOR3, RCN1, HRH4 TDP1 4029/4885CYP1A2 236/4885CYP3A4 333/4885

“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.