SCHEMBL9656291

SCHEMBL9656291

COc1ccc(C=C(C)[N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.62
ALDH1A1 P00352 5/20 0.60
MAPT P10636 4/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
LMNA P02545 2/20 0.60
MEN1 O00255 1/20 0.60
JAK2 O60674 1/20 0.60
MITF O75030 1/20 0.60
CYP2C9 P11712 1/20 0.60
NTSR1 P30989 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
EGFR P00533 2/20 0.56
ABL1 P00519 1/20 0.56
ABL2 P42684 1/20 0.56
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL9657482 1.00 FBP1 (0.62) FBP1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL10772748 0.87 FBP1 (0.65) FBP1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL28673144 0.85 EGFR (0.56) FBP1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL29818623 0.85 EGFR (0.56) FBP1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL14303313 0.85 EGFR (0.56) FBP1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL11016653 0.83 EGFR (0.54) FBP1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL9717632 0.83 FBP1 (0.59) FBP1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL28898306 0.83 FBP1 (0.59) FBP1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL17559101 0.82 FBP1 (0.55) FBP1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL19397777 0.82 FBP1 (0.55) FBP1ALDH1A1MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116613-B Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof 湘潭大学 2021-04-23 CN claimed
CN-111116613-B Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof 湘潭大学 2021-04-23 CN disclosed
CN-104610267-B Method for efficiently synthesizing 6-alkyl pyrazolo [1,5-c ] quinazoline framework compound under non-catalytic condition 江西师范大学 2020-03-20 CN disclosed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
EP-3099685-B1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
EP-3099685-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2016-12-07 EP disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-9458153-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-9458153-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
WO-2015113990-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2015-08-06 WO disclosed
US-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
US-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
EP-0306861-B1 STABILISATION OF CHLOROFLUOROALKANES Kali-Chemie Aktiengesellschaft (DE) 1992-12-30 EP disclosed
EP-0503441-A1 Stabilization of dichlorotrifluoroethane Solvay Fluor und Derivate GmbH (DE) 1992-09-16 EP disclosed
US-4883913-A BUT-3-EN-1-OL COMPOUNDS, MIXTURES OF CATALYSTS AND BLOWING AGENTS FOR POLYURETHANES KALI-CHEMIE AKTIENGESELLSCHAFT (DE) 1989-11-28 US disclosed
EP-0306861-A2 Stabilisation of chlorofluoroalkanes Kali-Chemie Aktiengesellschaft (DE) 1989-03-15 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 (3 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-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, HCCS, DHX15 FBP1 1284/4885ALDH1A1 735/4885MAPT 4243/4885
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, HCCS, DHX15 FBP1 1284/4885ALDH1A1 735/4885MAPT 4243/4885
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, HCCS, DHX15 FBP1 1284/4885ALDH1A1 735/4885MAPT 4243/4885

“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.