SCHEMBL6705738

SCHEMBL6705738

Fc1ccc(Cn2cc(Cn3ccnc3)c3cccnc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 12/20 0.73
▸ CYP11B1 P15538 4/20 0.58
▸ CYP11B2 P19099 3/20 0.58
▸ TBXAS1 P24557 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 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
SCHEMBL16750295 0.78 PDE4A (0.48) CYP19A1KDM4EPOLBMAPTPDE4A
SCHEMBL11082155 0.76 CYP11B1 (1.00) CYP19A1CYP11B1CYP11B2TBXAS1POLB
SCHEMBL6755429 0.74 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2TBXAS1POLB
SCHEMBL11492200 0.73 CYP19A1 (1.00) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL16750284 0.73 PDE4A (0.50) CYP19A1KDM4EPOLBMAPTPDE4A
SCHEMBL6706747 0.73 ALDH1A1 (0.64) LMNAMAPTTDP1PDE4APDE4B
Hydrochloric Acid SCHEMBL11356743 0.73 CYP19A1 (0.97) CYP19A1CYP11B1CYP11B2TBXAS1POLB
SCHEMBL5557953 0.72 PDE4A (0.62) KDM4EPOLBMAPTPDE4APDE4B
SCHEMBL9278001 0.70 PDE4A (0.66) POLBMAPTPDE4APDE4BPDE4C
SCHEMBL5559147 0.70 PDE4A (0.66) POLBMAPTPDE4APDE4BPDE4C

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 6 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 claimed
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 claimed
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 claimed
WO-2002024685-A1 INDOLE DERIVATIVES AND THEIR USE AS ANTIFUNGAL AND/OR ANTIPARASITIC AGENTS YANG JI CHEMICAL COMPANY LTD. (KR) 2002-03-28 — — WO claimed
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

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 CYP19A1 1538/4885CYP11B1 202/4885CYP11B2 157/4885

“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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