SCHEMBL13077829

SCHEMBL13077829

C[C@@H](NC/C=C/CCNC(=O)Nc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.53
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ EPHX1 P07099 6/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ METAP2 P50579 1/20 0.41
▸ METAP1 P53582 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40

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
SCHEMBL13077567 0.89 HTT (0.52) EPHX2MAPTMEN1KMT2AKDM4E
SCHEMBL13077918 0.88 EPHX2 (0.51) EPHX2ALDH1A1EPHX1HTTLMNA
SCHEMBL13077828 0.88 EPHX2 (0.56) EPHX2ALDH1A1HTTLMNAGAA
SCHEMBL13078019 0.88 EPHX2 (0.51) EPHX2ALDH1A1EPHX1HTTLMNA
SCHEMBL13077961 0.88 ADRA2C (0.48) EPHX2MAPTMEN1KMT2ARAB9A
SCHEMBL13077957 0.85 EPHX2 (0.47) EPHX2KMT2AHTTLMNAGAA
SCHEMBL13040874 0.84 EPHX2 (0.45) EPHX2MAPTMEN1KMT2AALDH1A1
SCHEMBL13077955 0.83 EPHX2 (0.46) EPHX2HTTLMNAGAAMETAP2
SCHEMBL13077821 0.83 EPHX2 (0.45) EPHX2HTTLMNAGAAMETAP2
SCHEMBL13077601 0.82 KMT2A (0.52) MEN1KMT2AALDH1A1KDM4EHTT

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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 — — 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R EPHX2 1436/4885MAPT 4649/4885MEN1 202/4885

“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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