SCHEMBL6018016

SCHEMBL6018016

[NH]Nc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
RAPGEF4 Q8WZA2 1/20 0.41
TSHR P16473 6/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 3/20 0.41
RECQL P46063 2/20 0.41
HPGD P15428 3/20 0.36
AHR P35869 1/20 0.36
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.34
SRC P12931 1/20 0.34
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
RAB9A P51151 2/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL1686537 0.75 RAPGEF4 (0.56) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
SCHEMBL6378880 0.71 CYP1A2 (0.43) ALDH1A1TSHRLMNAGAATDP1
SCHEMBL17656072 0.71 ALDH1A1 (0.45) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
SCHEMBL1997250 0.71 ALDH1A1 (0.45) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
SCHEMBL11842587 0.71 ALDH1A1 (0.48) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
SCHEMBL2090286 0.71 ALDH1A1 (0.45) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
SCHEMBL2090288 0.71 RAPGEF4 (0.46) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
Hydrochloric Acid SCHEMBL2071416 0.69 ALDH1A1 (0.43) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
Bromide SCHEMBL20984465 0.69 ALDH1A1 (0.43) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4
SCHEMBL11883596 0.67 ALDH1A1 (0.39) ALDH1A1RAPGEF4TSHRHSD17B10CYP3A4

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 3722/4885RAPGEF4 4453/4885TSHR 656/4885

“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.