SCHEMBL404652

SCHEMBL404652

Cc1ccc2[nH]c(=O)n(N)c(=N)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.60
KDM4E B2RXH2 9/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
GAA P10253 2/20 0.60
GLA P06280 1/20 0.60
NPC1 O15118 3/20 0.45
DAO P14920 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 5/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
HSD17B10 Q99714 5/20 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
SCHEMBL10085593 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL437509 0.77 KDM4E (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8215674 0.71 ADORA3 (0.61) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL31167532 0.71 ALDH1A1 (0.44) ALDH1A1
SCHEMBL10001734 0.69 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL13933160 0.69 NPC1 (0.81) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL434989 0.68 CYP1A2 (0.64) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL31393153 0.68 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL10085008 0.68 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL345690 0.68 KIF11 (0.67) ALDH1A1KDM4EMEN1KMT2AGAA

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 ALDH1A1 1909/4885KDM4E 1897/4885MEN1 667/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALDH1A1 1909/4885KDM4E 1897/4885MEN1 667/4885

“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.