SCHEMBL532944

SCHEMBL532944

Cc1cc(C)c(Br)c(C)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 2/20 0.39
CYP1A2 P05177 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP7 P55210 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MAPT P10636 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 3/20 0.32
DRD3 P35462 1/20 0.32
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL30439061 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL31159576 0.82 CYP3A4 (0.48) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL262306 0.80 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL356846 0.80 TSHR (0.40) ALDH1A1CYP3A4TSHRMAPK1POLB
SCHEMBL28186183 0.79 CYP3A4 (0.43) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL5160048 0.79 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL15778376 0.78 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL30006601 0.77 CYP3A4 (0.38) ALDH1A1CYP3A4TSHRMAPK1CYP1A2
Ammonia Solution, Strong SCHEMBL2045015 0.77 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRTDP1MAPK1
Hydrochloric Acid SCHEMBL8643161 0.77 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRTDP1MAPK1

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 89 patents — showing the first 20. 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
EP-4698517-A1 <SUP2/>? <SUB2/>?4?NOVEL COMPOUNDS AS ?? <NS1:SUB>7</NS1:SUB>?INHIBITORS Evotec International GmbH (DE) 2026-02-25 EP disclosed
US-12225748-B2 Light-emitting element, display device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2025-02-11 US disclosed
US-20240397738-A1 Light-Emitting Element, Display Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-11-28 US disclosed
WO-2024218058-A1 NOVEL COMPOUNDS AS α4β7 INHIBITORS EVOTEC INTERNATIONAL GMBH (DE) 2024-10-24 WO disclosed
US-20240292646-A1 Light-Emitting Element, Display Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-08-29 US disclosed
US-11974445-B2 Light-emitting element, display device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-04-30 US disclosed
WO-2024044552-A1 VHH ANTIBODY DOTA CONJUGATES Abdera Therapeutics Inc. (US) 2024-02-29 WO disclosed
WO-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 WO 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
US-4418208-A EXTERNAL IMAGING OF THE HEPATOBILIARY SYSTEM E. R. SQUIBB & SONS, INC. (US) 1983-11-29 US 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 (5 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 3722/4885CYP3A4 174/4885TSHR 656/4885
US-20240397738-A1 Light-Emitting Element, Display Device, Electronic Device, and Lighting Device EHD1, ESR1, EPHX1 ALDH1A1 1715/4885CYP3A4 466/4885TSHR 3985/4885
US-11974445-B2 Light-emitting element, display device, electronic device, and lighting device EHD1, ESR1, EPHX1 ALDH1A1 1715/4885CYP3A4 466/4885TSHR 3985/4885
US-12225748-B2 Light-emitting element, display device, electronic device, and lighting device EHD1, ESR1, EPHX1 ALDH1A1 1715/4885CYP3A4 466/4885TSHR 3985/4885
US-20240292646-A1 Light-Emitting Element, Display Device, Electronic Device, and Lighting Device EHD1, ESR1, EPHX1 ALDH1A1 1715/4885CYP3A4 466/4885TSHR 3985/4885

“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.