SCHEMBL6706747

SCHEMBL6706747

O=Cc1cn(Cc2ccc(F)cc2)c2ncccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ HTT P42858 3/20 0.64
▸ CNR1 P21554 4/20 0.61
▸ CNR2 P34972 4/20 0.61
▸ APP P05067 3/20 0.52
▸ SNCA P37840 3/20 0.52
▸ PDE4A P27815 1/20 0.50
▸ PDE4B Q07343 1/20 0.50
▸ PDE4C Q08493 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ TP53 P04637 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KAT2B Q92831 1/20 0.45

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
SCHEMBL12252047 0.88 APP (0.65) ALDH1A1SMN1; SMN2HTTCNR1CNR2
SCHEMBL23535636 0.80 APP (0.46) ALDH1A1SMN1; SMN2HTTCNR1CNR2
SCHEMBL16750287 0.79 CNR2 (0.48) ALDH1A1SMN1; SMN2HTTCNR1CNR2
SCHEMBL16586481 0.79 ENPP2 (0.60) ALDH1A1SMN1; SMN2HTTCNR1CNR2
SCHEMBL21042783 0.79 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HTTCNR1CNR2
SCHEMBL24164296 0.79 APP (0.64) ALDH1A1CNR1CNR2APPSNCA
SCHEMBL24163776 0.78 APP (0.60) ALDH1A1CNR1CNR2APPSNCA
SCHEMBL5557953 0.78 PDE4A (0.62) ALDH1A1SMN1; SMN2HTTCNR1CNR2
SCHEMBL8690446 0.78 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTCNR2APP
SCHEMBL24163770 0.77 SNCA (0.62) ALDH1A1SMN1; SMN2HTTCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040067998-A1 Antifungal and/or antiparasitic pharmaceutical composition and novel indole derivatives as active principle of such a composition YANG JI CHEMICAL COMPANY LTD (KR) 2004-04-08 — — US disclosed
CN-1473160-A Indole derivatives as medicinal compositions for antifungal and/or antiparasitic agents 杨池化学有限公司 2004-02-04 — — CN disclosed
EP-1322638-A1 ANTIFUNGAL AND/OR ANTIPARASITIC PHARMACEUTICAL COMPOSITION AND NOVEL INDOLE DERIVATIVES AS ACTIVE PRINCIPLE OF SUCH A COMPOSITION Yang Ji Chemical Company Ltd. (KR) 2003-07-02 — — EP disclosed
WO-2002024685-A1 INDOLE DERIVATIVES AND THEIR USE AS ANTIFUNGAL AND/OR ANTIPARASITIC AGENTS YANG JI CHEMICAL COMPANY LTD. (KR) 2002-03-28 — — 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-20040067998-A1 Antifungal and/or antiparasitic pharmaceutical composition and novel indole derivatives as active principle of such a composition IDO1, IDO2, TPH1 ALDH1A1 3031/4885SMN1; SMN2 4643/4885HTT 777/4885

“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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