SCHEMBL13334328

SCHEMBL13334328

C=C(Nc1ccc(Cl)cc1C#N)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GAA P10253 4/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ GLA P06280 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SRC P12931 8/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ EGFR P00533 2/20 0.36
▸ ERBB2 P04626 2/20 0.36
▸ PRKCQ Q04759 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
SCHEMBL404789 0.81 HPGD (0.47) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL6177644 0.78 KDM4E (0.57) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL4293229 0.76 KDM4E (0.48) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL1015889 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL11829926 0.74 KDM4E (0.44) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL11880437 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL1016756 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL1019310 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL23864523 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL2824291 0.74 NLRP3 (0.55) ALDH1A1KDM4EMAPTHPGDGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 1909/4885KDM4E 1897/4885MAPT 2336/4885

“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.

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