Sugi Predict

Sugi Predict / Compounds / SCHEMBL10171014

SCHEMBL10171014

SCHEMBL10171014

COC(=O)c1cc(Br)ccc1Oc1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.43
▸ CHEK1 O14757 1/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ ABCC1 P33527 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NR4A2 P43354 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ PDGFRA P16234 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
SCHEMBL25666695 0.93 TDP1 (0.45) TDP1HSD17B10MEN1KMT2APOLB
SCHEMBL1367387 0.90 L3MBTL1 (0.52) TDP1HSD17B10MEN1KMT2APOLB
SCHEMBL21332875 0.88 TDP1 (0.48) TDP1MEN1KMT2APOLBALDH1A1
SCHEMBL21332780 0.88 TDP1 (0.46) TDP1HSD17B10MEN1KMT2APOLB
SCHEMBL25666679 0.86 MAPT (0.49) TDP1HSD17B10MEN1KMT2APOLB
SCHEMBL21332632 0.85 PKM (0.55) TDP1MEN1KMT2APOLBALDH1A1
SCHEMBL23242497 0.85 TDP1 (0.45) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL2370724 0.85 TDP1 (0.40) TDP1HSD17B10MEN1KMT2APOLB
SCHEMBL1667720 0.84 SIRT6 (0.56) TDP1HSD17B10MEN1KMT2APOLB
SCHEMBL25666694 0.84 MAPT (0.47) TDP1MEN1KMT2APOLBALDH1A1

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 TDP1 4277/4885HSD17B10 471/4885MEN1 4857/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 TDP1 4395/4885HSD17B10 533/4885MEN1 4843/4885

“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.