SCHEMBL462729

SCHEMBL462729

FC(F)(F)c1ccc2nc(N3CCNCC3)c3nnnn3c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
HTR1D P28221 1/20 0.51
HTR2C P28335 1/20 0.51
MAPT P10636 7/20 0.51
TP53 P04637 2/20 0.50
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
SOS1 Q07889 1/20 0.44
RAB9A P51151 1/20 0.43
ADRB2 P07550 1/20 0.42

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
Hydrochloric Acid SCHEMBL438063 0.99 POLB (0.60) POLBHTR1DHTR2CMAPTTP53
SCHEMBL462636 0.91 HTR1D (0.59) POLBHTR1DHTR2CMAPTTP53
Hydrochloric Acid SCHEMBL442488 0.90 HTR1D (0.58) POLBHTR1DHTR2CMAPTTP53
SCHEMBL10013924 0.88 POLB (0.63) POLBMAPTTP53KDM4EMEN1
SCHEMBL439563 0.86 POLB (0.67) POLBHTR1DHTR2CMAPTTP53
SCHEMBL404169 0.82 MAPT (0.71) POLBMAPTTP53KDM4EMEN1
SCHEMBL406424 0.82 MAPT (0.53) POLBMAPTTP53KDM4EMEN1
SCHEMBL342711 0.82 CUL4A (0.60) POLBMAPTTP53KDM4EMEN1
SCHEMBL12224815 0.82 HTR1D (0.51) POLBHTR1DHTR2CMAPTTP53
SCHEMBL440930 0.81 TSHR (0.46) POLBHTR1DHTR2CMAPTTP53

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 8 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
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-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
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO 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 (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 POLB 4619/4885HTR1D 208/4885HTR2C 235/4885
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 POLB 4705/4885HTR1D 106/4885HTR2C 145/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 POLB 4705/4885HTR1D 106/4885HTR2C 145/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 POLB 4705/4885HTR1D 106/4885HTR2C 145/4885

“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.