SCHEMBL6018014

SCHEMBL6018014

N[N]c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 6/20 0.41
CYP3A4 P08684 4/20 0.41
HSD17B10 Q99714 3/20 0.41
RECQL P46063 3/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 1/20 0.39
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36
AHR P35869 1/20 0.36
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
IDO1 P14902 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33

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
SCHEMBL5881155 0.75 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL4634658 0.75 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL3185565 0.75 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL18698310 0.71 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL11240308 0.71 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL6378876 0.71 CYP1A2 (0.43) ALDH1A1TSHRCYP3A4HTR3EHTR3B
SCHEMBL11883606 0.70 HTR3E (0.56) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL8107432 0.67 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL2937097 0.66 TSHR (0.67) ALDH1A1TSHRCYP3A4HSD17B10RECQL
SCHEMBL6139486 0.65 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4HSD17B10RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057672-B Qionanol derivative 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2023-10-17 CN claimed
CN-114057672-A Kirenol derivatives 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2022-02-18 CN claimed
US-7098215-B2 Nitrogenous compounds and antiviral drugs containing the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-08-29 US 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-114057672-B Qionanol derivative 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2023-10-17 CN disclosed
CN-114057672-A Kirenol derivatives 山东省医学科学院药物研究所(山东省抗衰老研究中心、山东省新技术制药研究所) 2022-02-18 CN 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-6774235-B2 HAVING HIV REPLICATION INHIBITING PROPERTIES. JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-10 US 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 (1 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 3722/4885TSHR 656/4885CYP3A4 174/4885

“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.