SCHEMBL1671876

SCHEMBL1671876

CN(C)c1ccnc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
CHRM5 P08912 1/20 0.46
CHKA P35790 1/20 0.46
NPC1 O15118 1/20 0.43
RECQL P46063 1/20 0.42
LOX P28300 1/20 0.42
LOXL3 P58215 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
TERT O14746 1/20 0.40
APP P05067 1/20 0.40
TRPA1 O75762 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38

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
SCHEMBL31098970 0.78 CHKA (0.49) ALDH1A1KDM4ECHKARECQLLOX
SCHEMBL1400929 0.77 ALDH1A1 (0.46) ALDH1A1KDM4ERECQLLOXLOXL3
SCHEMBL4183371 0.77 ALDH1A1 (0.42) ALDH1A1KDM4ENPC1RECQLLOX
SCHEMBL196641 0.76 ALDH1A1 (0.53) ALDH1A1KDM4ECHRM5CHKANPC1
SCHEMBL1857798 0.74 UHRF1 (0.52) ALDH1A1KDM4ECHRM5CHKATERT
SCHEMBL18221640 0.74 ALDH1A1 (0.52) ALDH1A1KDM4ECHRM5CHKANPC1
SCHEMBL30002302 0.74 UHRF1 (0.52) ALDH1A1KDM4ECHRM5CHKATERT
SCHEMBL2641921 0.74 MAPT (0.61) ALDH1A1NPC1APPALOX15MAPT
SCHEMBL2641925 0.74 MAPT (0.61) ALDH1A1NPC1APPALOX15MAPT
SCHEMBL18598911 0.74 MAPT (0.41) ALDH1A1KDM4ERECQLLOXLOXL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240219366-A1 A METHOD OF DETECTING ONE OR MORE MARKERS IN A PETROLEUM FUEL USING A PHOTOACOUSTIC DETECTOR BASF SCHWEIZ AG (CH) 2024-07-04 US claimed
EP-4327073-A1 A METHOD OF DETECTING ONE OR MORE MARKERS IN A PETROLEUM FUEL USING A PHOTOACOUSTIC DETECTOR BASF SE (DE) 2024-02-28 EP claimed
WO-2022223384-A1 A METHOD OF DETECTING ONE OR MORE MARKERS IN A PETROLEUM FUEL USING A PHOTOACOUSTIC DETECTOR BASF SE (DE) 2022-10-27 WO claimed
EP-3202862-A2 CHROMOPHORIC COMPOSITIONS BASF SE (DE) 2017-08-09 EP claimed
EP-3067216-A1 CHROMOPHORIC COMPOSITIONS BASF SE (DE) 2016-09-14 EP claimed
US-20240219366-A1 A METHOD OF DETECTING ONE OR MORE MARKERS IN A PETROLEUM FUEL USING A PHOTOACOUSTIC DETECTOR BASF SCHWEIZ AG (CH) 2024-07-04 US disclosed
EP-4327073-A1 A METHOD OF DETECTING ONE OR MORE MARKERS IN A PETROLEUM FUEL USING A PHOTOACOUSTIC DETECTOR BASF SE (DE) 2024-02-28 EP disclosed
WO-2022223384-A1 A METHOD OF DETECTING ONE OR MORE MARKERS IN A PETROLEUM FUEL USING A PHOTOACOUSTIC DETECTOR BASF SE (DE) 2022-10-27 WO disclosed
WO-2017175068-A1 THIAZOLOPYRIDINE DERIVATIVES AS GPR119 AGONISTS MANKIND PHARMA LTD. (IN) 2017-10-12 WO disclosed
EP-3202862-A2 CHROMOPHORIC COMPOSITIONS BASF SE (DE) 2017-08-09 EP disclosed
EP-3067216-A1 CHROMOPHORIC COMPOSITIONS BASF SE (DE) 2016-09-14 EP disclosed
US-8680275-B2 Fused heterocyclic compounds as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US disclosed
EP-2491034-B1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-12-18 EP disclosed
EP-2491034-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-08-29 EP disclosed
US-20120202783-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN RESEARCH NV (BE) 2012-08-09 US disclosed
WO-2011050200-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed
WO-2009029617-A1 DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 WO disclosed
WO-2009029617-A1 DIARYLAMINE-SUBSTITUTED QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 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-20120202783-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR ALDH1A1 2475/4885KDM4E 1368/4885CHRM5 513/4885

“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.