SCHEMBL405382

SCHEMBL405382

COc1ccc(Cn2cnc3c(=O)[nH]c4ccc(Cl)cc4c32)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
IDH1 O75874 1/20 0.39
GLA P06280 1/20 0.39
CSF1R P07333 1/20 0.39
RIOK2 Q9BVS4 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL405979 0.82 ADRA1D (0.41) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL405406 0.75 GAA (0.42) KDM4EHSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL405940 0.72 CHEK1 (0.48) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL17710852 0.72 HSP90AA1 (0.49) KDM4EHSP90AA1HSP90AB1ALDH1A1KMT2A
SCHEMBL17710874 0.68 EGLN1 (0.46) KDM4EHSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL406009 0.68 ADORA3 (0.55) CSF1RLMNATP53POLB
SCHEMBL4172007 0.67 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL19669035 0.66 EGLN1 (0.44) KDM4EHSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL17710803 0.66 EGLN1 (0.44) KDM4EHSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL18576055 0.65 EGLN1 (0.48) KDM4EHSP90AA1HSP90AB1ALDH1A1HSD17B10

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 12 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
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-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
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP 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
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO 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 KDM4E 1897/4885HSP90AA1 2752/4885HSP90AB1 2463/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KDM4E 1897/4885HSP90AA1 2752/4885HSP90AB1 2463/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KDM4E 1897/4885HSP90AA1 2752/4885HSP90AB1 2463/4885

“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.