SCHEMBL405979

SCHEMBL405979

COc1ccc(Cn2c(C)nc3c(=O)[nH]c4ccc(Cl)cc4c32)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 4/20 0.41
CSF1R P07333 1/20 0.40
AKR1B10 O60218 2/20 0.40
PDE10A Q9Y233 1/20 0.39
IDH1 O75874 1/20 0.39
PDE9A O76083 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
CNR1 P21554 1/20 0.38
P2RX3 P56373 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 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
SCHEMBL405382 0.82 KDM4E (0.48) TP53ALDH1A1GAAHPGDHTT
SCHEMBL405022 0.75 LRRK2 (0.49) AKR1B10KDM4E
SCHEMBL31715054 0.69 APLNR (0.42) ALDH1A1GAAHPGDHTTPOLB
SCHEMBL4172007 0.68 KDM4E (0.43) TP53ALDH1A1GAAHPGDHTT
SCHEMBL29936778 0.68 GRIN1 (0.41) ALDH1A1HPGDMAPTPDE9AADORA3
SCHEMBL406009 0.67 ADORA3 (0.55) TP53CSF1RADORA3ADORA1CNR1
SCHEMBL19577097 0.66 HSD17B10 (0.62) ALDH1A1HPGDMAPTLMNAKDM4E
SCHEMBL27033303 0.65 BRD4 (0.41) ALDH1A1GAAHPGDHTTMAPT
SCHEMBL29344499 0.65 PDE9A (0.42) ALDH1A1HPGDMAPTPDE9AADORA3
SCHEMBL4174608 0.64 MAPT (0.51) TP53ALDH1A1MAPTADORA3P2RX3

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 6 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-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
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 ADRA1D 801/4885ADRA1A 1102/4885ADRA1B 977/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ADRA1D 801/4885ADRA1A 1102/4885ADRA1B 977/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ADRA1D 801/4885ADRA1A 1102/4885ADRA1B 977/4885

“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.