Sugi Predict

Sugi Predict / Compounds / SCHEMBL10171016

SCHEMBL10171016

SCHEMBL10171016

CN1Cc2cc(Br)ccc2N(C)Cc2cc(Br)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.53
▸ EGFR P00533 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B3 P37058 5/20 0.39
▸ SRD5A1 P18405 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CASP2 P42575 1/20 0.36
▸ PNMT P11086 3/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ ADRA2B P18089 2/20 0.35
▸ ADRA2C P18825 2/20 0.35
▸ ASIC3 Q9UHC3 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34

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
SCHEMBL29209001 0.81 BRD4 (0.53) BRD4EGFRLMNAHSD17B3SRD5A1
SCHEMBL30336256 0.81 BRD4 (0.53) BRD4EGFRLMNAHSD17B3SRD5A1
SCHEMBL2056315 0.79 SRD5A1 (0.46) BRD4SMN1; SMN2HSD17B3SRD5A1MEN1
SCHEMBL17351956 0.79 SRD5A1 (0.46) BRD4SMN1; SMN2HSD17B3SRD5A1MEN1
SCHEMBL5959197 0.76 ALDH1A1 (0.58) BRD4SRD5A1MEN1KMT2AROCK1
SCHEMBL31716065 0.76 ALDH1A1 (0.58) BRD4SRD5A1MEN1KMT2AROCK1
SCHEMBL18363028 0.76 ALDH1A1 (0.44) LMNASMN1; SMN2SRD5A1MEN1KMT2A
SCHEMBL23725210 0.75 CREBBP (0.44) BRD4LMNAHSD17B3CASP2
SCHEMBL31180339 0.75 ALDH1A1 (0.53) BRD4SRD5A1MEN1KMT2AROCK1
SCHEMBL10171019 0.74 BRD4 (0.37) BRD4HSD17B3SRD5A1PNMTASIC3

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 BRD4 572/4885EGFR 3421/4885LMNA 2669/4885
US-20120040962-A1 FUSED RING INHIBITORS OF HEPATITIS C HAVCR2, HCCS, ZC3HAV1 BRD4 446/4885EGFR 3545/4885LMNA 2515/4885

“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.