SCHEMBL6503338

SCHEMBL6503338

O=CC(c1ccc(Cl)cc1)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.62
CYP3A4 P08684 7/20 0.45
CYP3A5 P20815 4/20 0.45
FFAR2 O15552 1/20 0.45
CFTR P13569 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GOPC Q9HD26 1/20 0.42
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL360712 0.86 CFTR (0.57) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6501170 0.84 CYP19A1 (0.46) CYP19A1CYP3A4CFTRSLC6A2SLC6A4
SCHEMBL6502611 0.83 POLB (0.51) CYP19A1CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6505294 0.83 ALDH1A1 (0.42) CYP19A1CYP3A4CFTRSLC6A2SLC6A4
SCHEMBL5184111 0.80 CYP19A1 (0.61) CYP19A1FFAR2MEN1KMT2A
SCHEMBL3652018 0.80 CYP19A1 (0.46) CYP19A1CYP3A4CYP3A5SLC6A2SLC6A4
SCHEMBL1515902 0.80 IDO1 (0.48) CYP19A1SLC6A2SLC6A4SLC6A3MEN1
SCHEMBL1978297 0.80 HSD17B10 (0.46) CYP19A1CYP3A4FFAR2
SCHEMBL6498908 0.80 KMT2A (0.46) CYP19A1CYP3A4RAB9AKMT2ASMN1; SMN2
SCHEMBL6498870 0.80 ALDH1A1 (0.49) CYP19A1CFTRSLC6A2SLC6A4SLC6A3

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-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 CYP19A1 2827/4885CYP3A4 4806/4885CYP3A5 4249/4885

“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.