SCHEMBL463566

SCHEMBL463566

FC(F)(F)c1cc2nc(Cl)c(Cl)nc2cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.40
NOTUM Q6P988 10/20 0.39
EGLN1 Q9GZT9 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.35
IDO1 P14902 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
KDR P35968 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
CACNA1H O95180 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
SCHEMBL463638 0.82 MAPT (0.39) GLP1RNOTUMIDO1HTR3EHTR3B
SCHEMBL462725 0.81 CYP11B2 (0.39) GLP1REGLN1TDP1RXFP1CACNA1H
SCHEMBL10281922 0.76 KDM4E (0.47) TDP1RXFP1
SCHEMBL463021 0.75 HRH4 (0.57) CYP1A2HTR3EHTR3BHTR3AHTR3D
SCHEMBL11602223 0.75 NOTUM (0.44) NOTUMIDO1HTR3EHTR3BHTR3A
SCHEMBL29558616 0.75 TDP1 (0.50) GLP1RTDP1
SCHEMBL405486 0.75 TDP1 (0.50) GLP1RTDP1
SCHEMBL25051724 0.75 NOTUM (0.34) GLP1RNOTUMEGLN1IDO1HTR3E
SCHEMBL21642578 0.75 PGK1 (0.49)
SCHEMBL6303911 0.74 GLP1R (0.56) GLP1RTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GLP1R 287/4885NOTUM 2175/4885EGLN1 1240/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GLP1R 287/4885NOTUM 2175/4885EGLN1 1240/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GLP1R 287/4885NOTUM 2175/4885EGLN1 1240/4885

“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.