SCHEMBL7190826

SCHEMBL7190826

Cc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.64
ALDH1A1 P00352 4/20 0.64
CYP3A4 P08684 2/20 0.64
RECQL P46063 2/20 0.64
MAPT P10636 7/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
POLB P06746 1/20 0.57
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MCOLN3 Q8TDD5 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
SCHEMBL17117159 0.98 TSHR (0.62) TSHRALDH1A1CYP3A4RECQLMAPT
SCHEMBL9999827 0.92 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4RECQLMAPT
SCHEMBL1514401 0.90 CRHBP (0.58) TSHRALDH1A1CYP3A4RECQLMAPT
SCHEMBL15203036 0.90 CRHBP (0.58) TSHRALDH1A1CYP3A4RECQLMAPT
SCHEMBL20364812 0.89 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4RECQLMAPT
SCHEMBL31436939 0.89 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4RECQLMAPT
SCHEMBL1896442 0.89 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4RECQLMAPT
SCHEMBL3537270 0.87 ALDH1A1 (0.51) TSHRALDH1A1CYP3A4RECQLMAPT
SCHEMBL10475465 0.87 ALDH1A1 (0.51) TSHRALDH1A1CYP3A4RECQLMAPT
SCHEMBL9807408 0.87 ALDH1A1 (0.51) TSHRALDH1A1CYP3A4RECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 WO claimed
JP-4368364-A None JP disclosed
US-9499555-B2 Porous crystalline frameworks, process for the preparation therof and their mechanical delamination to covalent organic nanosheets (CONS) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-11-22 US disclosed
US-20150266885-A1 POROUS CRYSTALLINE FRAMEWORKS, PROCESS FOR THE PREPARATION THEROF AND THEIR MECHANICAL DELAMINATION TO COVALENT ORGANIC NANOSHEETS (CONS) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-09-24 US disclosed
US-8962670-B2 Anti-cancer agents UWM RESEARCH FOUNDATION, INC. (US) 2015-02-24 US disclosed
US-8962670-B2 Anti-cancer agents UWM RESEARCH FOUNDATION, INC. (US) 2015-02-24 US disclosed
US-8637490-B2 Anti-cancer agents UWM RESEARCH FOUNDATION, INC. (US) 2014-01-28 US disclosed
US-8637490-B2 Anti-cancer agents UWM RESEARCH FOUNDATION, INC. (US) 2014-01-28 US disclosed
US-8465889-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2013-06-18 US disclosed
US-8465889-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2013-06-18 US disclosed
US-20130045949-A1 ANTI-CANCER AGENTS UWM RESEARCH FOUNDATION, INC. (US) 2013-02-21 US disclosed
US-20130045949-A1 ANTI-CANCER AGENTS UWM RESEARCH FOUNDATION, INC. (US) 2013-02-21 US disclosed
US-20110268472-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2011-11-03 US disclosed
US-20110268472-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2011-11-03 US disclosed
US-7850868-B2 Lyotropic liquid crystalline mixture, coating liquid, and optical anisotropic film NITTO DENKO CORPORATION (JP) 2010-12-14 US disclosed
US-7850868-B2 Lyotropic liquid crystalline mixture, coating liquid, and optical anisotropic film NITTO DENKO CORPORATION (JP) 2010-12-14 US disclosed
US-20100038589-A1 LYOTROPIC LIQUID CRYSTALLINE MIXTURE, COATING LIQUID, AND OPTICAL ANISOTROPIC FILM NITTO DENKO CORPORATION (JP) 2010-02-18 US disclosed
US-20100038589-A1 LYOTROPIC LIQUID CRYSTALLINE MIXTURE, COATING LIQUID, AND OPTICAL ANISOTROPIC FILM NITTO DENKO CORPORATION (JP) 2010-02-18 US disclosed
JP-H04368364-A PRODUCTION OF 4-METHYL-3-NITROBENZENESULFONIC ACID NISSAN CHEM IND LTD 1992-12-21 JP disclosed
US-3950434-A OXYGEN, PALLADIUM CATALYST, SULFURIC ACID ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1976-04-13 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 (2 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-20150266885-A1 POROUS CRYSTALLINE FRAMEWORKS, PROCESS FOR THE PREPARATION THEROF AND THEIR MECHANICAL DELAMINATION TO COVALENT ORGANIC NANOSHEETS (CONS) CTSF, DCAF1, POF1B TSHR 3471/4885ALDH1A1 4461/4885CYP3A4 2298/4885
US-20130045949-A1 ANTI-CANCER AGENTS TP53, MCL1, HRAS TSHR 4523/4885ALDH1A1 740/4885CYP3A4 4544/4885

“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.