SCHEMBL657597

SCHEMBL657597

NC(=O)COc1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.55
CHRNA4 P43681 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 2/20 0.53
MAOB P27338 1/20 0.51
MAPT P10636 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HGFAC Q04756 1/20 0.50
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.49
F2 P00734 1/20 0.49
LMNA P02545 1/20 0.48
ENPP2 Q13822 1/20 0.48

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
SCHEMBL30023557 1.00 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1MEN1POLB
SCHEMBL27631447 0.88 KMT2A (0.56) CHRNB2CHRNA4ALDH1A1MEN1POLB
SCHEMBL5778958 0.86 CHRNB2 (0.54) CHRNB2CHRNA4ALDH1A1MEN1POLB
SCHEMBL217722 0.86 LMNA (0.57) CHRNB2CHRNA4ALDH1A1MEN1POLB
SCHEMBL10753064 0.84 CHRNB2 (0.58) CHRNB2CHRNA4ALDH1A1MEN1POLB
SCHEMBL30601989 0.84 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1MEN1POLB
SCHEMBL27468480 0.84 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1MEN1POLB
SCHEMBL7939211 0.84 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1MEN1POLB
SCHEMBL4754189 0.84 CHRNB2 (0.58) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL15498194 0.82 KMT2A (0.66) ALDH1A1MEN1POLBKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069679-A N- (substituted phenyl) thiazole phenoxyacetamide compound and preparation method and application thereof 湖南省农业生物技术研究所 2023-11-17 CN disclosed
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 US disclosed
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-9913842-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2018-03-13 US disclosed
EP-0060119-A1 Azetidinone compounds and their preparation ELI LILLY AND COMPANY (US) 1982-09-15 EP disclosed
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed
US-4301280-A Preparation of 3-substituted cephalosporins LILLY INDUSTRIES LIMITED (GB) 1981-11-17 US disclosed
EP-0019401-A1 Process for preparing enamine derivatives, compounds so produced and process for preparing a 3-hydroxy-cephalosporin Lilly Industries Limited (GB) 1980-11-26 EP disclosed
US-4176231-A Process for preparing 3-exomethylenecepham sulfoxides LILLY INDUSTRIES LIMITED (GB) 1979-11-27 US disclosed
US-4159266-A AZETIDINONE SULFINIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1979-06-26 US disclosed
US-4052387-A METHOD OF PREPARATION OF 3-METHYLENECEPHAMS ELI LILLY AND COMPANY (US) 1977-10-04 US disclosed
US-4048160-A Process for preparation of 7-alkoxy-3-bromomethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4048163-A Process for preparation of 7-alkoxy-3-chloromethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4042585-A Process for preparation of 3-halomethylcephems ELI LILLY AND COMPANY (US) 1977-08-16 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 (8 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-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CHRNB2 1051/4885CHRNA4 794/4885ALDH1A1 2891/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHRNB2 1051/4885CHRNA4 794/4885ALDH1A1 2891/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHRNB2 1051/4885CHRNA4 794/4885ALDH1A1 2891/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHRNB2 1051/4885CHRNA4 794/4885ALDH1A1 2891/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHRNB2 1051/4885CHRNA4 794/4885ALDH1A1 2891/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHRNB2 1051/4885CHRNA4 794/4885ALDH1A1 2891/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A CHRNB2 1051/4885CHRNA4 794/4885ALDH1A1 2891/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A CHRNB2 1051/4885CHRNA4 794/4885ALDH1A1 2891/4885

“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.