Sugi Predict

Sugi Predict / Compounds / SCHEMBL1572672

SCHEMBL1572672

SCHEMBL1572672

CC1(C)OB(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.45
▸ TSHR P16473 2/20 0.42
▸ LMNA P02545 3/20 0.41
▸ LPL P06858 4/20 0.39
▸ LIPG Q9Y5X9 4/20 0.39
▸ HTT P42858 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ VCAM1 P19320 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GPR35 Q9HC97 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37

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
SCHEMBL30339941 0.90 TSHR (0.55) CYP19A1TSHRLMNALPLLIPG
SCHEMBL4161612 0.88 LPL (0.44) CYP19A1TSHRLMNALPLLIPG
SCHEMBL3805692 0.88 KMT2A (0.41) CYP19A1TSHRLMNALPLLIPG
SCHEMBL2496856 0.88 MAPT (0.41) CYP19A1TSHRLMNAHTTKMT2A
SCHEMBL31290955 0.88 KMT2A (0.41) CYP19A1TSHRLMNALPLLIPG
SCHEMBL3497830 0.88 ALDH1A1 (0.40) CYP19A1TSHRLMNALPLLIPG
SCHEMBL15649400 0.85 MAPT (0.37) CYP19A1TSHRLMNALPLLIPG
SCHEMBL13336427 0.85 LMNA (0.48) TSHRLMNALPLLIPGHTT
SCHEMBL10225795 0.84 TP53 (0.44) KMT2AMEN1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL3321609 0.84 TTR (0.38) TSHRLMNALPLLIPGHTT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118388482-A Pi conjugated energy level regulation perylene diimide compound, preparation method thereof and application thereof in field effect transistor 郑州大学 2024-07-26 — — CN disclosed
EP-3898587-B1 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS UNIV FREIBURG ALBERT LUDWIGS (DE) 2024-06-26 — — EP disclosed
US-20220055989-A1 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS ALBERT LUDWING UNIV FREIBURG (DE) 2022-02-24 — — US disclosed
EP-3898587-A1 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS Albert-Ludwigs-Universität Freiburg (DE) 2021-10-27 — — EP disclosed
WO-2020127846-A9 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS ALBERT LUDWIG UNIVERSITÄT FREIBURG (DE) 2021-08-12 — — WO disclosed
WO-2020127846-A1 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS ALBERT LUDWIG UNIVERSITÄT FREIBURG (DE) 2020-06-25 — — WO disclosed
EP-3046902-B1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LTD (AU) 2018-08-08 — — EP disclosed
CN-105683153-B composition for treating hypertension and/or fibrosis 维克图斯生物系统有限公司 2018-07-13 — — CN disclosed
US-9630935-B2 Compositions for the treatment of hypertension and/or fibrosis VECTUS BIOSYSTEMS LIMITED (AU) 2017-04-25 — — US disclosed
US-20160280671-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LIMITED (AU) 2016-09-29 — — US disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 — — EP disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — WO disclosed
EP-2125755-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis Ag (CH) 2009-12-02 — — EP disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 — — US disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 — — US disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 — — US disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 — — WO disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 — — 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 (5 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 CYP19A1 2090/4885TSHR 3154/4885LMNA 2948/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 CYP19A1 1600/4885TSHR 3210/4885LMNA 2647/4885
US-20160280671-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS TGFB1, REN, TGFB2 CYP19A1 3890/4885TSHR 3566/4885LMNA 701/4885
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CYP19A1 2293/4885TSHR 4762/4885LMNA 2969/4885
US-20220055989-A1 CONDENSED PYRROLES AS NOVEL BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD2 CYP19A1 2879/4885TSHR 3634/4885LMNA 2780/4885

“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.