SCHEMBL249714

SCHEMBL249714

O=[N+]([O-])c1cc[c]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 6/20 0.50
CTSB P07858 4/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
AR P10275 1/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 2/20 0.40
POLB P06746 1/20 0.40
HPRT1 P00492 1/20 0.40
CASP6 P55212 1/20 0.40
ALOX15 P16050 1/20 0.40
PARP1 P09874 1/20 0.38

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
SCHEMBL386455 0.87 TDP1 (0.61) TDP1ALDH1A1CTSBMEN1KMT2A
SCHEMBL6815895 0.81
SCHEMBL11440963 0.79 ALDH1A1 (0.49) TDP1ALDH1A1CTSBMEN1KMT2A
SCHEMBL11838471 0.78 TDP1 (0.48) TDP1ALDH1A1MEN1KMT2ATSHR
SCHEMBL8370815 0.77 TDP1 (0.52) TDP1ALDH1A1CTSBMEN1KMT2A
SCHEMBL4303054 0.77 TDP1 (0.42) TDP1ALDH1A1CTSBMEN1KMT2A
SCHEMBL4306587 0.76 TDP1 (0.61) TDP1ALDH1A1CTSBMEN1KMT2A
SCHEMBL27598058 0.74 TDP1 (0.39) TDP1ALDH1A1CTSBMEN1KMT2A
SCHEMBL7788656 0.74 TDP1 (0.80) TDP1ALDH1A1CTSBMEN1KMT2A
SCHEMBL4049852 0.72 PDE10A (0.56) TDP1ALDH1A1CTSBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105936659-B Mono- ligand metallic catalysts of stereochemical structure N, N and preparation method thereof 宜春学院 2018-01-30 CN claimed
US-9834537-B2 Compounds as chloride channel blocking agent KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-05 US claimed
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-28 US claimed
CN-102504056-B N,O-double ligand metal catalyst with stereo structure and preparation method UNIV NANCHANG 2014-07-16 CN claimed
CN-102399323-B N,O-single ligand metal catalyst with stereochemical structure and preparation method thereof UNIV NANCHANG 2014-05-14 CN claimed
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP claimed
US-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS CEPA SCHWARZ PHARMA, S.L. (ES) 2009-02-05 US claimed
US-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 US claimed
EP-1830854-A1 ARYLPIPERAZINE DERIVATIVES AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS Schwarz Pharma, s.l. (ES) 2007-09-12 EP claimed
US-20070142467-A1 3-alkylaryl aspartate compounds and their use for selective enhancement of synaptic transmission THE UNIVERSITY OF MONTANA (US) 2007-06-21 US claimed
EP-0839807-A1 Synthesis of benzo(f)quinolinones ELI LILLY AND COMPANY (US) 1998-05-06 EP claimed
EP-0476456-B1 Substituted 2-thiazolyl tetrazolium salt indicators BAYER AG (US) 1997-11-12 EP claimed
EP-0476454-B1 Analytical method using tetrazolium salt indicators having a reflectance plateau BAYER AG (US) 1996-10-23 EP claimed
US-5290536-A Phenyl substituted 2-thiazolyl tetrazolium salt indicators MILES INC. (US) 1994-03-01 US claimed
US-5126275-A Chromogenic reducing indicators for reducing substances such as NADH MILES INC. (US) 1992-06-30 US claimed
EP-0476455-A2 Phenyl-substituted 2-thiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP claimed
EP-0476454-A1 Analytical method using tetrazolium salt indicators having a reflectance plateau Bayer Corporation (US) 1992-03-25 EP claimed
EP-0476457-A2 2-Benzothiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP claimed
EP-0476456-A2 Substituted 2-thiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP claimed
US-4224071-A Black dyes for ball-point pen inks AMERICAN CYANAMID COMPANY (US) 1980-09-23 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 (4 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-20070142467-A1 3-alkylaryl aspartate compounds and their use for selective enhancement of synaptic transmission SLC1A1, SLC1A3, SLC1A2 TDP1 1968/4885ALDH1A1 929/4885CTSB 3893/4885
US-20090036455-A1 ARYLPIPERAZINE DERIVATIVE AND USE THEREOF AS 5-HT1A RECEPTOR LIGANDS HTR1A, HTR5A, HTR2C TDP1 777/4885ALDH1A1 671/4885CTSB 743/4885
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT CACNB2, CACNB1, CACNB4 TDP1 4801/4885ALDH1A1 4200/4885CTSB 1602/4885
US-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 TDP1 4624/4885ALDH1A1 2490/4885CTSB 3515/4885

“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.