SCHEMBL462846

SCHEMBL462846

CCOC(CNc1nc2cc(F)c(F)cc2nc1Cl)OCC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 12/20 0.47
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.37
GSK3B P49841 1/20 0.35
MAP4K2 Q12851 1/20 0.35
MEN1 O00255 2/20 0.33
RXFP1 Q9HBX9 2/20 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
SCHEMBL406090 0.71 GPR6 (0.35) PGK1
SCHEMBL8111822 0.68 KDM4E (0.55) PGK1KDM4ENPSR1L3MBTL1KMT2A
SCHEMBL29558712 0.67 APP (0.45) KMT2AMEN1RXFP1
SCHEMBL28725399 0.67 APP (0.45) KMT2AMEN1RXFP1
SCHEMBL10848966 0.67 PGK1 (0.41) PGK1KDM4ENPSR1L3MBTL1KMT2A
SCHEMBL16822522 0.65 TRPV3 (0.33) NPSR1KMT2AMEN1
SCHEMBL29558664 0.65 TDP1 (0.46) PGK1KDM4EKMT2A
SCHEMBL121641 0.65 TDP1 (0.46) PGK1KDM4EKMT2A
SCHEMBL20511205 0.64 LMNA (0.48) KDM4EKMT2A
SCHEMBL11070949 0.64 EPHX1 (0.44) L3MBTL1KMT2AMEN1

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 PGK1 3919/4885KDM4E 1897/4885NPSR1 86/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PGK1 3919/4885KDM4E 1897/4885NPSR1 86/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PGK1 3919/4885KDM4E 1897/4885NPSR1 86/4885

“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.