Sugi Predict

Sugi Predict / Compounds / SCHEMBL2050463

SCHEMBL2050463

SCHEMBL2050463

Cc1c(C)c(Cl)c(C)c(Cl)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP3A4 P08684 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ IMPDH2 P12268 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ CASP1 P29466 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL13176704 0.87 HPGD (0.41) HPGDTSHRHSD17B10ALDH1A1MAPT
SCHEMBL10577820 0.87 TSHR (0.50) HPGDTSHRHSD17B10ALDH1A1MAPT
SCHEMBL24462646 0.84 HPGD (0.39) HPGDTSHRHSD17B10ALDH1A1MAPT
SCHEMBL17490271 0.83 HPGD (0.44) HPGDTSHRHSD17B10ALDH1A1MAPT
SCHEMBL22931524 0.81 TSHR (0.53) HPGDTSHRHSD17B10ALDH1A1MAPT
SCHEMBL5586757 0.81 HPGD (0.37) HPGDTSHRHSD17B10ALDH1A1MAPT
SCHEMBL2869098 0.81 HPGD (0.37) HPGDTSHRHSD17B10ALDH1A1MAPT
SCHEMBL9650992 0.80 HPGD (0.41) HPGDTSHRHSD17B10ALDH1A1MAPT
SCHEMBL11509242 0.80 TSHR (0.50) HPGDTSHRHSD17B10ALDH1A1MAPT
SCHEMBL10922334 0.78 HPGD (0.47) HPGDTSHRHSD17B10ALDH1A1MAPT

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7964531-B2 3-phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-21 — — US disclosed
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2010-02-18 — — US disclosed
US-7608563-B2 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same MITSUI AGRO CHEMICALS, INC. (JP) 2009-10-27 — — US disclosed
EP-1426365-B9 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2009-10-21 — — EP disclosed
EP-1426365-B1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME SANKYO AGRO CO LTD (JP) 2009-07-15 — — EP disclosed
EP-1066269-B1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2005-05-11 — — EP disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 — — US disclosed
US-6774235-B2 HAVING HIV REPLICATION INHIBITING PROPERTIES. JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-10 — — US disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 — — EP 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
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 HPGD 498/4885TSHR 656/4885HSD17B10 1218/4885
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 HPGD 1537/4885TSHR 603/4885HSD17B10 493/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 HPGD 1885/4885TSHR 600/4885HSD17B10 591/4885

“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.