SCHEMBL811582

SCHEMBL811582

CCc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 14/20 0.54
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KAT2B Q92831 1/20 0.49
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 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
SCHEMBL5068488 0.85 TSHR (0.58) VCAM1ALDH1A1MEN1KMT2AKAT2B
SCHEMBL4520586 0.83 VCAM1 (0.53) VCAM1ALDH1A1KDM4EPOLB
SCHEMBL9513445 0.83 VCAM1 (0.55) VCAM1ALDH1A1KDM4EPOLBMEN1
SCHEMBL10959235 0.82 TSHR (0.55) ALDH1A1MEN1KMT2AKAT2B
SCHEMBL29707970 0.81 VCAM1 (0.56) VCAM1ALDH1A1KDM4EPOLB
SCHEMBL671271 0.81 VCAM1 (0.54) VCAM1ALDH1A1KDM4EPOLBMEN1
SCHEMBL18653119 0.81 VCAM1 (0.51) VCAM1ALDH1A1KDM4EPOLBMEN1
SCHEMBL27311122 0.81 VCAM1 (0.51) VCAM1ALDH1A1KDM4EPOLB
SCHEMBL627966 0.81 VCAM1 (0.51) VCAM1ALDH1A1KDM4EPOLB
SCHEMBL213965 0.81 VCAM1 (0.56) VCAM1ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259362-A1 PREPARATION OF 3-DIMETHYLAMINO-7-METHYL-1,2,4-BENZOTRIAZINE-1-OXIDE AND AZAPROPAZONE A.H. ROBINS COMPANY LIMITED (GB) 1988-03-16 EP claimed
WO-1987004432-A1 PREPARATION OF 3-DIMETHYLAMINO-7-METHYL-1,2,4-BENZOTRIAZINE-1-OXIDE AND AZAPROPAZONE A.H. ROBINS COMPANY LIMITED (GB) 1987-07-30 WO claimed
CN-110272452-A Quinoline derivatives and preparation method thereof and purposes 山东中农联合生物科技股份有限公司 2019-09-24 CN disclosed
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2017-03-23 US disclosed
US-8501931-B2 Convertible nucleoside derivatives RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2013-08-06 US disclosed
EP-2599763-A1 Novel imaging agents for detecting neurological dysfunction Siemens Molecular Imaging, Inc. (US) 2013-06-05 EP disclosed
EP-1682547-B1 RSV POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2012-10-24 EP disclosed
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110166141-A1 CATHEPSIN S INHIBITORS DCB-USA, LLC (US) 2011-07-07 US disclosed
US-7932284-B2 Indole sulfonamide modulators of progesterone receptors ELI LILLY AND COMPANY (US) 2011-04-26 US disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 US disclosed
US-20070032525-A1 Piperidine derivatives having ccr3 antagonism TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-08 US disclosed
EP-0268849-B1 Poly(aminoaromatic) compounds DOW CHEMICAL CO (US) 1993-10-20 EP disclosed
US-5079275-A Polyamino compound is an amino endcapped polyether, polyester, polycarbonate, resole, hydroxybutadiene THE DOW CHEMICAL COMPANY (US) 1992-01-07 US disclosed
US-4847416-A Capping of polyols with aromatic amines THE DOW CHEMICAL COMPANY (US) 1989-07-11 US disclosed
EP-0268849-A2 Poly(aminoaromatic) compounds THE DOW CHEMICAL COMPANY (US) 1988-06-01 EP disclosed
EP-0259362-A1 PREPARATION OF 3-DIMETHYLAMINO-7-METHYL-1,2,4-BENZOTRIAZINE-1-OXIDE AND AZAPROPAZONE A.H. ROBINS COMPANY LIMITED (GB) 1988-03-16 EP disclosed
US-4700011-A Methods for the production and purification of di (nitrophenyl) ethers AMOCO CORPORATION (US) 1987-10-13 US disclosed
WO-1987004432-A1 PREPARATION OF 3-DIMETHYLAMINO-7-METHYL-1,2,4-BENZOTRIAZINE-1-OXIDE AND AZAPROPAZONE A.H. ROBINS COMPANY LIMITED (GB) 1987-07-30 WO 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 (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-20070032525-A1 Piperidine derivatives having ccr3 antagonism CCR3, CCR1, CCR4 VCAM1 547/4885ALDH1A1 451/4885KDM4E 3395/4885
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 VCAM1 85/4885ALDH1A1 486/4885KDM4E 3617/4885
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 VCAM1 1775/4885ALDH1A1 1001/4885KDM4E 115/4885
US-20110166141-A1 CATHEPSIN S INHIBITORS CTSS, CTSV, CTSB VCAM1 1830/4885ALDH1A1 2734/4885KDM4E 2752/4885

“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.