SCHEMBL10171027

SCHEMBL10171027

O=C(O)c1ccc(Br)cc1Nc1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.70
AKR1C2 P52895 11/20 0.70
GRIK1 P39086 2/20 0.54
ACLY P53396 1/20 0.51
MAPT P10636 1/20 0.49
GFER P55789 1/20 0.49
NGLY1 Q96IV0 1/20 0.49
FABP4 P15090 1/20 0.47
MPO P05164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
KCNK2 O95069 1/20 0.46
KCNK10 P57789 1/20 0.46

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
SCHEMBL9709047 0.91 AKR1C3 (0.60) AKR1C3AKR1C2GRIK1ACLYMAPT
SCHEMBL13890899 0.90 AKR1C3 (0.59) AKR1C3AKR1C2GRIK1ACLYMAPT
SCHEMBL1415595 0.89 AKR1C3 (0.67) AKR1C3AKR1C2GRIK1MAPTGFER
SCHEMBL4158603 0.82 FABP4 (0.71) AKR1C3AKR1C2MAPTFABP4
SCHEMBL11604475 0.81 AKR1C3 (0.62) AKR1C3AKR1C2ACLYMAPTFABP4
SCHEMBL9942872 0.79 ACLY (0.55) AKR1C3AKR1C2GRIK1ACLYMAPT
SCHEMBL16632333 0.78 ACLY (0.54) AKR1C3AKR1C2GRIK1ACLYKDM4E
SCHEMBL4152400 0.78 ACLY (0.54) AKR1C3AKR1C2GRIK1ACLYMAPT
Hydrochloric Acid SCHEMBL145407 0.76 ACLY (0.53) AKR1C3AKR1C2GRIK1ACLYKDM4E
SCHEMBL28472949 0.76 AKR1C3 (0.64) AKR1C3AKR1C2MAPTGFERNGLY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-9150554-B2 Fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-8999967-B2 Tricyclic fused ring inhibitors of hepatitis C PRESIDIO PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 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 (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-20130296304-A1 TRICYCLIC FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, LIPC AKR1C3 532/4885AKR1C2 1038/4885GRIK1 3972/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 AKR1C3 968/4885AKR1C2 1452/4885GRIK1 4160/4885

“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.