SCHEMBL114440

SCHEMBL114440

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
CA12 O43570 1/20 0.55
SOS1 Q07889 1/20 0.55
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
XDH P47989 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAOB P27338 1/20 0.53
HSD17B10 Q99714 1/20 0.52
TSHR P16473 1/20 0.52
ERN1 O75460 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 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
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL40606 0.89 MAPT (0.58) MAPTCA12SOS1ALDH1A1TDP1
SCHEMBL11049170 0.86 MAPT (0.69) MAPTCA12SOS1ALDH1A1NPSR1
SCHEMBL9978289 0.86 MAPT (0.69) MAPTCA12SOS1ALDH1A1NPSR1
SCHEMBL14935499 0.86 MAPT (0.69) MAPTCA12SOS1ALDH1A1NPSR1
SCHEMBL11296000 0.84 MAPT (0.67) MAPTCA12SOS1ALDH1A1NPSR1
2-Nitrobenzaldehyde SCHEMBL5654 0.84 ERN1 (0.66) MAPTCA12SOS1ALDH1A1TDP1
SCHEMBL11299049 0.84 MAPT (0.67) MAPTCA12SOS1ALDH1A1NPSR1
2-Nitrobenzaldehyde SCHEMBL29672618 0.84 ERN1 (0.66) MAPTCA12SOS1ALDH1A1TDP1
SCHEMBL34722 0.82 MAPT (0.55) MAPTCA12SOS1ALDH1A1TDP1
2-Nitrobenzaldehyde SCHEMBL9323445 0.82 ERN1 (0.63) MAPTCA12SOS1ALDH1A1TDP1

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 1572 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-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
US-20200246471-A1 POLYMER DERIVATIVES HAVING PARTICULAR ATOM ARRANGEMENTS NEKTAR THERAPEUTICS (US) 2020-08-06 US claimed
US-9714560-B2 Protected scale inhibitors and methods relating thereto HALLIBURTON ENERGY SERVICES, INC. (US) 2017-07-25 US claimed
US-9493469-B2 Piperidine inhibitors of Janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-15 US 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
US-8304168-B2 Lithographic printing plate precursor and process for producing lithographic printing plate FUJIFILM CORPORATION (JP) 2012-11-06 US claimed
US-20100075255-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PROCESS FOR PRODUCING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-03-25 US claimed
EP-1534670-B1 ENZYME ACTIVATED SELF-IMMOLATIVE N-SUBSTITUTED NITROGEN MUSTARD PRODRUGS CANCER REC TECH LTD (GB) 2009-12-02 EP claimed
WO-2005000360-A2 PEG DERIVATIVES HAVING AN AMIDOCARBONATE LINKAGE NEKTAR THERAPEUTICS AL, CORPORATION (US) 2005-01-06 WO claimed
WO-2004020400-A1 ENZYME ACTIVATED SELF-IMMOLATIVE N-SUBSTITUTED NITROGEN MUSTARD PRODRUGS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-03-11 WO claimed
EP-0700378-B1 COMPOUNDS WHICH RELEASE NITRIC OXIDE UNIV CALIFORNIA (US) 2000-12-20 EP claimed
US-5616600-A Griseolic acid compounds and their use as a phosphodiesterase inhibitor SANKYO COMPANY, LIMITED (JP) 1997-04-01 US claimed
EP-0700378-A1 COMPOUNDS WHICH RELEASE NITRIC OXIDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-03-13 EP claimed
EP-0700378-A4 COMPOUNDS WHICH RELEASE NITRIC OXIDE UNIV CALIFORNIA (US) 1996-01-22 EP claimed
US-5405950-A N4 -substituted cytidines and process for incorporation into an oligonucleotides AMOCO CORPORATION (US) 1995-04-11 US claimed
US-5374710-A Compounds which release nitric oxide upon illumination REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-12-20 US claimed
WO-1994027957-A1 COMPOUNDS WHICH RELEASE NITRIC OXIDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-12-08 WO claimed
US-4631150-A Process for the preparation of penems FARMITALIA CARLO ERBA S.P.A. (IT) 1986-12-23 US 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-20200246471-A1 POLYMER DERIVATIVES HAVING PARTICULAR ATOM ARRANGEMENTS CD44, PIGO, PGLS MAPT 267/4885CA12 342/4885SOS1 4318/4885

“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.