SCHEMBL405736

SCHEMBL405736

COC(=O)Nc1cc(Cl)ccc1C#N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
LMNA P02545 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 5/20 0.51
GAA P10253 5/20 0.51
PPARG P37231 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
ATM Q13315 1/20 0.46
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 2/20 0.44
CHEK1 O14757 1/20 0.43
S1PR3 Q99500 1/20 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
SCHEMBL404789 0.88 HPGD (0.47) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL6949339 0.85 NLRP3 (0.55) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL23466483 0.85 ALDH1A1 (0.53) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL404755 0.84 HPGD (0.64) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL4342270 0.84 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL31167553 0.81 HPGD (0.44) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL31167557 0.81 HPGD (0.44) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL4298397 0.81 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL23486625 0.81 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL404741 0.81 POLB (0.44) ALDH1A1LMNAMEN1KMT2AHTT

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 ALDH1A1 1909/4885LMNA 4599/4885MEN1 667/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALDH1A1 1909/4885LMNA 4599/4885MEN1 667/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ALDH1A1 1909/4885LMNA 4599/4885MEN1 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.