SCHEMBL406331

SCHEMBL406331

Brc1ccc2c(c1)nc(N1CCNCC1)c1nnnn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KDM4E B2RXH2 4/20 0.50
TSHR P16473 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B10 Q99714 3/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HRH4 Q9H3N8 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
USP2 O75604 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.45
HBB P68871 1/20 0.44
RECQL P46063 1/20 0.44
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 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 SCHEMBL440326 0.99 MAPT (0.49) MAPTKDM4ETSHRMEN1KMT2A
SCHEMBL406424 0.90 MAPT (0.53) MAPTKDM4ETSHRMEN1KMT2A
SCHEMBL406689 0.85 HRH4 (0.66) MAPTKDM4ETSHRMEN1KMT2A
SCHEMBL405729 0.85 MAPT (0.59) MAPTKDM4ETSHRMEN1KMT2A
SCHEMBL463658 0.85 MAPT (0.53) MAPTKDM4ETSHRMEN1KMT2A
SCHEMBL405688 0.85 MAPT (0.57) MAPTKDM4ETSHRMEN1KMT2A
SCHEMBL462636 0.82 HTR1D (0.59) MAPTKDM4ETSHRMEN1KMT2A
SCHEMBL12225318 0.82 KDM4E (0.72) MAPTKDM4ETSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL442488 0.81 HTR1D (0.58) MAPTKDM4ETSHRMEN1KMT2A
SCHEMBL406439 0.81 TSHR (0.47) MAPTKDM4ETSHRMEN1KMT2A

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-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

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 MAPT 2336/4885KDM4E 1897/4885TSHR 82/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885KDM4E 1897/4885TSHR 82/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885KDM4E 1897/4885TSHR 82/4885

“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.