SCHEMBL2093672

SCHEMBL2093672

COc1cc(OC)c([NH])c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP1A2 P05177 8/20 0.45
CYP3A4 P08684 6/20 0.45
CYP1A1 P04798 7/20 0.43
CYP1B1 Q16678 7/20 0.43
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ERN1 O75460 1/20 0.42
CYP2C19 P33261 3/20 0.39
CYP2E1 P05181 2/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2A6 P11509 2/20 0.39

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
SCHEMBL4053443 0.79 AR (0.44) ALDH1A1CA12CA1CA2CA7
Difucol Hexamethyl Ether SCHEMBL505203 0.77 CYP1A2 (0.60) ALDH1A1CA12CA1CA2CA7
SCHEMBL2002889 0.76 CYP3A4 (0.61) CA1CA2CYP3A4CYP1A1MAPT
SCHEMBL686849 0.74 CYP1A2 (0.64) ALDH1A1CA12CA1CA2CA7
SCHEMBL862161 0.74 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL1046000 0.74 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA7
SCHEMBL1203850 0.72 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL2028309 0.72 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL13564253 0.72 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL34336 0.72 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-1066269-B1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2005-05-11 EP claimed
US-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives DAEYAERT FREDERIK FRANS DESIRE (BE) 2002-08-22 US claimed
EP-1066269-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP claimed
US-6150360-A ADMINISTERING TO A PATIENT SUFFERING FROM HUMAN IMMUNODEFICIENCY VIRUS INFECTION A TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2000-11-21 US claimed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 US disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 EP disclosed
CN-1157386-C Trisubstituted 1,3,5-triazine derivatives for treatment by HIV infections ղɭҩҵ���޹�˾ 2004-07-14 CN disclosed
US-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives DAEYAERT FREDERIK FRANS DESIRE (BE) 2002-08-22 US disclosed
US-6372729-B1 TREATMENT OF VIRAL DISEASES SUCH AS AIDS JANSSEN PHARMACEUTICA N.V. (BE) 2002-04-16 US disclosed
CN-1295566-A Trisubstituted 1,3,5-triazine derivatives for treatment by HIV infections JANSSEN PHARMACEUTICA NV (BE) 2001-05-16 CN disclosed
EP-1066269-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP disclosed
US-6150360-A ADMINISTERING TO A PATIENT SUFFERING FROM HUMAN IMMUNODEFICIENCY VIRUS INFECTION A TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2000-11-21 US disclosed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 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 (3 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-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives XDH, CCR5, CXCR1 ALDH1A1 3722/4885CA12 4658/4885CA1 4799/4885
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 ALDH1A1 3087/4885CA12 1737/4885CA1 1537/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALDH1A1 412/4885CA12 3179/4885CA1 4171/4885

“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.