SCHEMBL4513759

SCHEMBL4513759

N#Cc1ccc(F)cc1Sc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.48
PGR P06401 1/20 0.48
MAOA P21397 4/20 0.45
MAOB P27338 4/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
HAO1 Q9UJM8 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
SCHEMBL28453840 0.88 CYP1A2 (0.55) ARPGRMAOAMAOBMEN1
SCHEMBL30422506 0.80 MEN1 (0.57) ARPGRMAOAMAOBMEN1
SCHEMBL3961581 0.74 MAOA (0.73) ARPGRMAOAMAOBMEN1
SCHEMBL20287530 0.73 MAOB (0.51) ARPGRMAOAMAOBMEN1
SCHEMBL482240 0.73 HAO1 (0.55) CYP1A2CYP3A4HAO1
SCHEMBL2639266 0.73 ADORA1 (0.40) ARPGRMEN1KMT2ACYP1A2
SCHEMBL2446943 0.73 AR (0.46) ARPGRMAOAMAOBMEN1
SCHEMBL15231698 0.72 CYP1A2 (0.51) ARPGRMAOAMAOBMEN1
SCHEMBL11157431 0.72 CYP1A2 (0.49) ARPGRMAOAMAOBMEN1
SCHEMBL4330280 0.72 MAOA (0.38) ARMAOAMAOBHAO1SLC6A9

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-7482344-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2009-01-27 US disclosed
US-7482344-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2009-01-27 US disclosed
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-04-19 US disclosed
US-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2007-04-19 US disclosed
WO-2005066153-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
WO-2005066153-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 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 (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-20070088016-A1 Tricyclic steroid hormone nuclear receptor modulators NR3C2, NR3C1, NR5A1 AR 50/4885PGR 107/4885MAOA 3302/4885

“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.