SCHEMBL6707593

SCHEMBL6707593

OC(Cn1ccnn1)(Cn1ccc2ccccc21)c1ccc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.36
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP27B1 O15528 1/20 0.34
CDK4 P11802 3/20 0.33
CCND1 P24385 3/20 0.33
CCR1 P32246 1/20 0.33
CCR2 P41597 1/20 0.33
OGG1 O15527 1/20 0.33
KMT2A Q03164 2/20 0.33
PLAU P00749 1/20 0.33
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
CYP3A4 P08684 1/20 0.32
CASR P41180 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL6707592 0.82 CYP3A4 (0.45) CYP19A1OGG1KMT2ACYP3A4PTGS2
SCHEMBL21772447 0.79 OGG1 (0.38) CYP19A1CYP27B1CCR1CCR2OGG1
SCHEMBL11129469 0.75 OGG1 (0.38) CYP19A1SMN1; SMN2CYP27B1CCR1CCR2
SCHEMBL1423792 0.75 CYP27B1 (0.38) CYP19A1CYP27B1CCR1CCR2OGG1
SCHEMBL21784832 0.73 CYP27B1 (0.35) CYP19A1CYP27B1CCR1CCR2OGG1
SCHEMBL10923524 0.72 CYP27B1 (0.37) CYP19A1CYP27B1CCR1CCR2OGG1
SCHEMBL9657759 0.72 CYP3A4 (0.40) CYP19A1CCR1CCR2OGG1CYP3A4
SCHEMBL10572265 0.72 CYP27B1 (0.36) CYP19A1CYP27B1CCR1CCR2OGG1
SCHEMBL10917973 0.70 OGG1 (0.45) CYP19A1MAPTCYP27B1CCR1CCR2
SCHEMBL9662961 0.70 CYP3A4 (0.44) CYP19A1CYP27B1CCR1CCR2OGG1

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 1 patent. 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

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 1538/4885MAPT 1200/4885SMN1; SMN2 4643/4885

“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.