SCHEMBL6709376

SCHEMBL6709376

Clc1ccccc1Cn1cc(Cn2cncn2)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 13/20 0.75
▸ GAA P10253 2/20 0.47
▸ GFER P55789 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MGAM O43451 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43

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
SCHEMBL940881 0.84 CYP19A1 (0.62) CYP19A1NPSR1KDM4E
Hydrochloric Acid SCHEMBL11356117 0.82 CYP19A1 (0.61) CYP19A1NPSR1KDM4E
SCHEMBL6709462 0.79 CYP19A1 (0.73) CYP19A1GAAGFERMAPTTP53
SCHEMBL6706751 0.77 CYP19A1 (0.65) CYP19A1GAAGFERMAPTTP53
SCHEMBL9502361 0.76 CYP19A1 (0.57) CYP19A1GAAGFERMAPTTP53
SCHEMBL28206141 0.72 KDM4E (0.55) CYP19A1KDM4EALDH1A1
SCHEMBL11830899 0.70 MAPT (0.56) CYP19A1GAAGFERMAPTTP53
SCHEMBL8662290 0.70 CYP19A1 (0.57) CYP19A1GAA
SCHEMBL31376516 0.69 CYP19A1 (0.64) CYP19A1GAANPSR1
SCHEMBL28247182 0.69 GAA (0.63) CYP19A1GAAMAPTTP53ALDH1A1

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-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
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

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 1538/4885GAA 234/4885GFER 3671/4885

“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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