SCHEMBL341194

SCHEMBL341194

FC(F)(F)c1ccc2nc(N3CCNCC3)c3nncn3c2c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
TP53 P04637 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTR1D P28221 1/20 0.54
HTR2C P28335 1/20 0.54
HRH4 Q9H3N8 10/20 0.53
HRH3 Q9Y5N1 4/20 0.53
POLB P06746 2/20 0.52
MAPK1 P28482 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL436541 0.91 HTR1D (0.65) MAPTTP53SMN1; SMN2HTR1DHTR2C
SCHEMBL342005 0.86 HRH4 (0.71) MAPTTP53SMN1; SMN2HTR1DHTR2C
SCHEMBL12224747 0.84 HRH4 (0.54) MAPTTP53SMN1; SMN2HTR1DHTR2C
SCHEMBL437010 0.84 HRH4 (0.50) MAPTTP53SMN1; SMN2HRH4HRH3
SCHEMBL404399 0.82 HRH4 (0.66) MAPTTP53SMN1; SMN2HRH4HRH3
SCHEMBL404516 0.82 HRH4 (0.74) MAPTTP53HRH4HRH3POLB
SCHEMBL404201 0.82 HRH4 (0.76) MAPTTP53SMN1; SMN2HRH4HRH3
SCHEMBL2470171 0.82 HRH4 (0.53) MAPTTP53SMN1; SMN2HTR1DHTR2C
SCHEMBL438056 0.82 HRH4 (0.52) MAPTTP53SMN1; SMN2HTR1DHTR2C
SCHEMBL12224941 0.82 POLB (0.55) MAPTTP53SMN1; SMN2HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012012264-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALLERGY ALCON RESEARCH, LTD. (US) 2012-01-26 WO claimed
US-20120015953-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALLERGY ALCON RESEARCH, LTD. 2012-01-19 US claimed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
WO-2012012264-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALLERGY ALCON RESEARCH, LTD. (US) 2012-01-26 WO disclosed
US-20120015953-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALLERGY ALCON RESEARCH, LTD. 2012-01-19 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP 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
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 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 (4 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-20120015953-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ALLERGY HRH4, HRH2, HRH3 MAPT 3724/4885TP53 2943/4885SMN1; SMN2 4192/4885
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885TP53 3565/4885SMN1; SMN2 4774/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885TP53 3565/4885SMN1; SMN2 4774/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885TP53 3565/4885SMN1; SMN2 4774/4885

“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.