SCHEMBL40606

SCHEMBL40606

O=[N+]([O-])c1ccccc1[CH]c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAOB P27338 1/20 0.53
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
CA12 O43570 1/20 0.50
SOS1 Q07889 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CYP19A1 P11511 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
XDH P47989 1/20 0.49
ERN1 O75460 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL114440 0.89 MAPT (0.58) MAPTALDH1A1TDP1MAOBMEN1
SCHEMBL5248983 0.82 NFE2L2 (0.51) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL5442818 0.82 MAPT (0.66) MAPTALDH1A1TDP1MAOBMEN1
SCHEMBL1578983 0.82 MAPT (0.66) MAPTALDH1A1TDP1MAOBMEN1
SCHEMBL29594574 0.82 MAPT (0.66) MAPTALDH1A1TDP1MAOBMEN1
SCHEMBL1578978 0.82 MAPT (0.66) MAPTALDH1A1TDP1MAOBMEN1
SCHEMBL9978289 0.80 MAPT (0.69) MAPTALDH1A1MAOBMEN1KMT2A
SCHEMBL14935499 0.80 MAPT (0.69) MAPTALDH1A1MAOBMEN1KMT2A
SCHEMBL11049170 0.80 MAPT (0.69) MAPTALDH1A1MAOBMEN1KMT2A
2-Nitrobenzaldehyde SCHEMBL11730170 0.80 ERN1 (0.58) MAPTALDH1A1TDP1MAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
EP-2177522-B1 NOVEL CARBAPENEM DERIVATIVES XUANZHU PHARMA CO LTD (CN) 2013-09-04 EP claimed
US-7244411-B2 Method of selective peptide isolation for the identification and quantitative analysis of proteins in complex mixtures CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2007-07-17 US claimed
EP-1795896-A2 Method for the identification and relative quantification of proteins based on the selective isolation of RRNK peptides for the simplification of complex mixtures of proteins CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CIGB) (CU) 2007-06-13 EP claimed
US-20070128729-A1 Method for the identification and relative quantification of proteins based on the selective isolation of RRnK peptides for the simplification of complex mixtures of proteins CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2007-06-07 US claimed
EP-1785729-A2 A method for the selective isolation of multiply-charged peptides applicable in the quantitative proteomics CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CIGB) (CU) 2007-05-16 EP claimed
US-20070099304-A1 Method for the selective isolation of multiply-charged peptides applicable in the quantitative proteomics CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2007-05-03 US claimed
EP-1589341-A2 Method of selective peptide isolation for the identification and quantitative analysis of proteins in complex mixtures CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CIGB) (CU) 2005-10-26 EP claimed
US-20050176085-A1 Method of selective peptide isolation for the identification and quantitative analysis of proteins in complex mixtures CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2005-08-11 US claimed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US claimed
US-4771134-A Ring-opening process for preparing azetidinone intermediates FARMITALIA CARLO ERBA S.P.A. (IT) 1988-09-13 US claimed
US-4713450-A 2-thiacephems and (5R) penems derivatives FARMITALIA CARLO ERBA S.P.A. (IT) 1987-12-15 US claimed
US-4596759-A Base layer, solid positive working resist consisting of two layers with different solubilities, photosensitive component containing aromatic o-nitrocarbinol esters BASF AKTIENGESELLSCHAFT (DE) 1986-06-24 US claimed
US-4585874-A Process for preparing penem derivatives FARMITALIA CARLO ERBA S.P.A. (IT) 1986-04-29 US claimed
US-12024580-B2 Resin composition suitable for printing and printing methods Montanuniversität Leoben (AT) 2024-07-02 US disclosed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US disclosed
EP-0122154-A2 Improvements in or relating to benzothienylglycyl cephalosporin derivatives ELI LILLY AND COMPANY (US) 1984-10-17 EP disclosed
EP-0046083-A2 Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-02-17 EP 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-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 MAPT 4170/4885ALDH1A1 69/4885TDP1 1727/4885

“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.