SCHEMBL19474591

SCHEMBL19474591

N#Cc1ccc(Br)cc1Oc1ccc2cc(Br)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
PGGT1B P53609 2/20 0.43
AR P10275 8/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.38
CYP2A6 P11509 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL20278917 0.88 MAOB (0.49) CYP19A1FNTAFNTBPGGT1BAR
SCHEMBL6296027 0.84 VCAM1 (0.43) CYP19A1GAA
SCHEMBL17752288 0.83 FNTA (0.57) CYP19A1FNTAFNTBPGGT1BAR
SCHEMBL21327476 0.82 POLB (0.61) CYP19A1FNTAFNTBPGGT1BAR
SCHEMBL490118 0.81 CYP19A1 (0.48) CYP19A1FNTAFNTBPGGT1BAR
SCHEMBL26936315 0.81 FNTA (0.49) CYP19A1FNTAFNTBPGGT1BAR
SCHEMBL5112608 0.79 POLB (0.49) CYP19A1FNTAFNTBPGGT1BAR
SCHEMBL7074501 0.77 CYP19A1 (0.48) CYP19A1FNTAFNTBPGGT1BAR
SCHEMBL19474587 0.76 MAPK1 (0.35) FNTAFNTBPGGT1BARMAOA
SCHEMBL26936308 0.75 ALDH1A1 (0.49) CYP19A1FNTAFNTBPGGT1BAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445367-B1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-22 EP disclosed
US-10787441-B2 Hepatitis C virus inhibitors MERCK SHARP & DOHME CORP. (US) 2020-09-29 US disclosed
US-20190127355-A1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
WO-2017184476-A1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-10-26 WO disclosed
WO-2017181383-A1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-10-26 WO disclosed
WO-2017181383-A1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-10-26 WO disclosed
WO-2017184476-A1 HEPATITIS C VIRUS INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-10-26 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 (2 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-10787441-B2 Hepatitis C virus inhibitors HAVCR2, FABP1, SLC10A1 CYP19A1 1083/4885FNTA 367/4885FNTB 234/4885
US-20190127355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, FABP1, SLC10A1 CYP19A1 1083/4885FNTA 367/4885FNTB 234/4885

“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.