Sugi Predict

Sugi Predict / Compounds / SCHEMBL191304

SCHEMBL191304

SCHEMBL191304

COC(=O)c1ccc(/C=C/N(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 3/20 0.48
▸ ERN1 O75460 2/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ PTGER4 P35408 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ BACE1 P56817 1/20 0.42

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
SCHEMBL191305 1.00 VCAM1 (0.53) VCAM1ALDH1A1MAPTERN1PTGS2
SCHEMBL3970653 0.90 VCAM1 (0.50) VCAM1ALDH1A1MAPTERN1HPGD
SCHEMBL4133735 0.90 VCAM1 (0.50) VCAM1ALDH1A1MAPTERN1HPGD
SCHEMBL18649004 0.88 VCAM1 (0.49) VCAM1ALDH1A1MAPTERN1PTGS2
SCHEMBL3091095 0.85 HCAR3 (0.58) ALDH1A1MAPTPTGS2LMNA
SCHEMBL192101 0.85 HCAR3 (0.58) ALDH1A1MAPTPTGS2LMNA
SCHEMBL3348702 0.85 VCAM1 (0.53) VCAM1ALDH1A1MAPTERN1HPGD
SCHEMBL3348706 0.85 VCAM1 (0.53) VCAM1ALDH1A1MAPTERN1HPGD
SCHEMBL544066 0.84 ALDH1A1 (0.48) ALDH1A1MAPTPTGS2HPGDKMT2A
SCHEMBL544067 0.84 ALDH1A1 (0.48) ALDH1A1MAPTPTGS2HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220305115-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-09-29 — — US disclosed
EP-3468963-B1 DIHYDROPYRIMIDINYL BENZAZEPINE CARBOXAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2021-10-27 — — EP disclosed
US-11046671-B2 Dihydropyrimidinyl benzazepine carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2021-06-29 — — US disclosed
US-20210101912-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-04-08 — — US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 — — US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 — — US disclosed
US-10919913-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-p53 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-16 — — US disclosed
WO-2020255038-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 — — WO disclosed
EP-3464245-B1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS WITH TERTIARY AMIDE FUNCTION HOFFMANN LA ROCHE (CH) 2020-10-14 — — EP disclosed
US-20200172513-A1 DIHYDROPYRIMIDINYL BENZAZEPINE CARBOXAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-06-04 — — US disclosed
EP-0290145-B1 Aliphatic carboxamides ICI AMERICA INC (US) 1994-10-26 — — EP disclosed
US-5332755-A Leukotriene antagonists as antiinflammatory agents and antiallergens BAYER AKTIENGESELLSCHAFT (DE) 1994-07-26 — — US disclosed
US-5294737-A Hydrolysis, cyclization, condensation THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1994-03-15 — — US disclosed
US-5118700-A Leukotriene antagonist BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 — — US disclosed
EP-0242167-B1 HETEROCYCLIC CARBOXAMIDES ICI AMERICAS INC. (US) 1991-11-27 — — EP disclosed
US-4898863-A Heterocyclic carboxamides ICI AMERICAS INC. (US) 1990-02-06 — — US disclosed
US-4894386-A ANTIINFLAMMATORY AGENTS ICI AMERICAS INC. (US) 1990-01-16 — — US disclosed
EP-0290145-A1 Aliphatic carboxamides ZENECA INC. (US) 1988-11-09 — — EP disclosed
CN-87103504-A Heterocyclic carboxamide — 1987-12-09 — — CN disclosed
EP-0242167-A2 Heterocyclic carboxamides ICI AMERICAS INC. (US) 1987-10-21 — — EP 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 (6 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-20210101912-A1 NEW SPIRO[3H-INDOLE-3,2'-PYRROLIDIN]-2(1H)-ONE COMPOUNDS AND DERIVATIVES AS MDM2-P53 INHIBITORS TP53, MDM2, FOXM1 VCAM1 2945/4885ALDH1A1 865/4885MAPT 2387/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 VCAM1 4036/4885ALDH1A1 3714/4885MAPT 3629/4885
US-10919913-B2 Spiro[3H-indole-3,2′-pyrrolidin]-2(1H)-one compounds and derivatives as MDM2-p53 inhibitors TP53, MDM2, FOXM1 VCAM1 3227/4885ALDH1A1 1055/4885MAPT 2605/4885
US-20220305115-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND PYRIDOPYRIMIDINE DERIVATIVES HAVCR2, ENTPD5, HMGB3 VCAM1 1936/4885ALDH1A1 2220/4885MAPT 4151/4885
US-20200172513-A1 DIHYDROPYRIMIDINYL BENZAZEPINE CARBOXAMIDE COMPOUNDS TLR8, TLR1, TLR5 VCAM1 1147/4885ALDH1A1 1894/4885MAPT 3791/4885
US-11046671-B2 Dihydropyrimidinyl benzazepine carboxamide compounds TLR8, TLR1, TLR5 VCAM1 1147/4885ALDH1A1 1894/4885MAPT 3791/4885

“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.