SCHEMBL404818

SCHEMBL404818

Cc1nc2c(Cl)nc3ccc(Cl)cc3c2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.40
LMNA P02545 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MEN1 O00255 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MPO P05164 1/20 0.38
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
HSP90AB1 P08238 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ELANE P08246 1/20 0.37
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
DHODH Q02127 1/20 0.36
EGFR P00533 1/20 0.36
POLB P06746 1/20 0.36
PIK3CG P48736 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL405199 0.76 HRH4 (0.56) ALDH1A1KDM4E
SCHEMBL405315 0.76 FABP4 (0.31) FABP4
SCHEMBL406388 0.76 HRH4 (0.51) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL14833035 0.74 HRH4 (0.34) ALDH1A1KMT2ALMNAGPR55
SCHEMBL405841 0.73 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAGPR55NPC1
SCHEMBL31000399 0.72 ELANE (0.70) ALDH1A1KMT2ALMNAMEN1MPO
SCHEMBL1812732 0.72 ELANE (0.70) ALDH1A1KMT2ALMNAMEN1MPO
SCHEMBL28666342 0.72 TYMS (0.48) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL30515148 0.72 TYMS (0.48) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL405221 0.71 CHEK1 (0.51) ALDH1A1KMT2ALMNAMEN1HPGD

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 ALDH1A1 1909/4885KMT2A 751/4885LMNA 4599/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALDH1A1 1909/4885KMT2A 751/4885LMNA 4599/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALDH1A1 1909/4885KMT2A 751/4885LMNA 4599/4885

“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.