SCHEMBL405729

SCHEMBL405729

Cc1ccc2c(c1)nc(N1CCNCC1)c1nnnn12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
GAA P10253 1/20 0.59
TP53 P04637 2/20 0.58
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.51
TSHR P16473 3/20 0.50
HSD17B10 Q99714 3/20 0.50
MAPK1 P28482 3/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 2/20 0.47
HBB P68871 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
RECQL P46063 1/20 0.44

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
SCHEMBL404169 0.90 MAPT (0.71) MAPTGAATP53KDM4EMEN1
SCHEMBL405718 0.86 MAPT (0.64) MAPTGAATP53KDM4EMEN1
SCHEMBL406331 0.85 MAPT (0.50) MAPTGAATP53KDM4EMEN1
SCHEMBL405688 0.85 MAPT (0.57) MAPTGAATP53KDM4EMEN1
Hydrochloric Acid SCHEMBL440326 0.84 MAPT (0.49) MAPTGAATP53KDM4EMEN1
SCHEMBL462636 0.82 HTR1D (0.59) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL12225318 0.82 KDM4E (0.72) MAPTTP53KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL442488 0.81 HTR1D (0.58) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL405666 0.81 MAPT (0.52) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL405292 0.81 MAPT (0.52) MAPTTP53KDM4EMEN1KMT2A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885GAA 3072/4885TP53 3565/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885GAA 3072/4885TP53 3565/4885

“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.