SCHEMBL9290478

SCHEMBL9290478

COC(=O)c1cccc(C(C)c2c[nH]c(=S)[nH]2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 6/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CREBBP Q92793 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CFTR P13569 1/20 0.34
▸ MAP2K1 Q02750 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ POLB P06746 1/20 0.34

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
Rezatomidine SCHEMBL7799658 0.77 ADRA2A (0.53) KDM4EGAAKMT2ATSHRALDH1A1
Rezatomidine SCHEMBL345466 0.77 ADRA2A (0.53) KDM4EGAAKMT2ATSHRALDH1A1
Rezatomidine SCHEMBL676215 0.77 ADRA2A (0.53) KDM4EGAAKMT2ATSHRALDH1A1
SCHEMBL18763821 0.75 KDM4E (0.50) KDM4EGAAKMT2AATMFFAR4
SCHEMBL27687124 0.72 KDM4E (0.48) KDM4EGAAKMT2AATMFFAR4
SCHEMBL29841597 0.72 LMNA (0.47) KDM4EGAAKMT2AATMFFAR4
SCHEMBL13366640 0.72 KDM4E (0.50) KDM4EGAAKMT2AATMFFAR4
SCHEMBL19611955 0.72 LMNA (0.47) KDM4EGAAKMT2AATMFFAR4
SCHEMBL9290481 0.71 KDM4E (0.42) NR4A2KDM4EGAAKMT2AATM
SCHEMBL3511612 0.69 LMNA (0.59) NR4A2KDM4EKMT2AATMFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136035-A1 4-(1-(3-(HYDROXYMETHYL)-2-METHYLPHENYL)ETHYL)-1H-IMIDAZOLE-2(3H)-THIONE ALLERGAN, INC. (US) 2012-05-31 — — US disclosed
WO-2010093910-A1 4-(1-(3-(HYDROXYMETHYL)-2-METHYLPHENYL)ETHYL)-1H-IMIDAZOLE-2(3H)-THIONE ALLERGAN, INC. (US) 2010-08-19 — — 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 (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-20120136035-A1 4-(1-(3-(HYDROXYMETHYL)-2-METHYLPHENYL)ETHYL)-1H-IMIDAZOLE-2(3H)-THIONE OPRK1, OPRD1, TPMT NR4A2 450/4885KDM4E 1708/4885GAA 3907/4885

“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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