SCHEMBL406788

SCHEMBL406788

Cc1ccc2[nH]c(=O)c3nocc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.50
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 4/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
ACHE P22303 1/20 0.43
KDM4E B2RXH2 7/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
GRM5 P41594 1/20 0.40
KIF11 P52732 1/20 0.40

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
SCHEMBL405328 0.82 PIM1 (0.44) CHEK1ALDH1A1HSD17B10MAPTTSHR
SCHEMBL406211 0.82 ADORA3 (0.50) CHEK1KDM4ELMNAHPGDMAPK1
SCHEMBL12246129 0.78 KDM4E (0.48) MEN1KMT2AKDM4EKIF11
SCHEMBL30577489 0.78 PARP1 (0.56) CHEK1ALDH1A1HSD17B10MAPTTSHR
SCHEMBL14355039 0.73 ALDH1A1 (0.56) CHEK1ALDH1A1HSD17B10MAPTTSHR
SCHEMBL405889 0.73 METAP2 (0.44) CHEK1TP53
SCHEMBL406823 0.73 PARP1 (0.57) CHEK1LMNASMN1; SMN2DAOTP53
SCHEMBL30577492 0.72 ALDH1A1 (0.47) CHEK1ALDH1A1HSD17B10MAPTTSHR
SCHEMBL406068 0.72 ADORA3 (0.51) CHEK1ALDH1A1HSD17B10MAPTTSHR
SCHEMBL345690 0.70 KIF11 (0.67) ALDH1A1HSD17B10MAPTTSHRNPC1

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 CHEK1 2106/4885ALDH1A1 1909/4885HSD17B10 3443/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CHEK1 2106/4885ALDH1A1 1909/4885HSD17B10 3443/4885

“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.