SCHEMBL19418773

SCHEMBL19418773

COc1c(C(C)C)cc(Cl)c2[nH]ccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.38
▸ HTR4 Q13639 2/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ THRB P10828 2/20 0.35
▸ RORC P51449 1/20 0.35
▸ THRA P10827 1/20 0.33
▸ DBH P09172 1/20 0.32
▸ RHEB Q15382 1/20 0.32
▸ BRD4 O60885 5/20 0.32
▸ EIF4A3 P38919 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CHUK O15111 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21726012 0.84 THRB (0.35) ACHEHTR4SIGMAR1THRBRORC
SCHEMBL19420465 0.79 ACHE (0.39) ACHEHTR4SIGMAR1RHEBBRD4
SCHEMBL19418745 0.78 ACHE (0.39) ACHEHTR4SIGMAR1RHEBBRD4
SCHEMBL19418758 0.78 ACHE (0.39) ACHEHTR4SIGMAR1RHEBBRD4
SCHEMBL12278257 0.73 AHR (0.38) RHEBBRD4P2RX7
SCHEMBL26077500 0.72 AURKA (0.38) EIF4A3P2RX7LMNA
SCHEMBL21725759 0.72 P2RX7 (0.34) DBHBRD4P2RX7
SCHEMBL22533734 0.72 ACHE (0.49) ACHEHTR4SIGMAR1P2RX7KDM4E
SCHEMBL23916844 0.70 P2RX7 (0.36) P2RX7LMNA
SCHEMBL26145362 0.69 NQO2 (0.40) ACHEHTR4SIGMAR1DBHBRD4

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-20170283397-A1 SUBSTITUTED 1-H-INDOL-3-YL-BENZAMIDE AND 1, 1'-BIPHENYL ANALOGS AS HISTONE DEMETHYLASE INHIBITORS UNIV UTAH RES FOUND (US) 2017-10-05 — — US disclosed
US-20170283397-A1 SUBSTITUTED 1-H-INDOL-3-YL-BENZAMIDE AND 1, 1'-BIPHENYL ANALOGS AS HISTONE DEMETHYLASE INHIBITORS UNIV UTAH RES FOUND (US) 2017-10-05 — — 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-20170283397-A1 SUBSTITUTED 1-H-INDOL-3-YL-BENZAMIDE AND 1, 1'-BIPHENYL ANALOGS AS HISTONE DEMETHYLASE INHIBITORS KDM1A, KDM1B, KDM3A ACHE 796/4885HTR4 432/4885SIGMAR1 2382/4885

“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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