SCHEMBL9657482

SCHEMBL9657482

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
SCHEMBL9656291 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 23 patents — showing the first 20. 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-110831600-B Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-10-17 CN disclosed
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2023-01-26 US disclosed
US-11358969-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-06-14 US disclosed
CN-111116613-B Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof 湘潭大学 2021-04-23 CN disclosed
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2020-10-22 US disclosed
US-10689388-B1 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-23 US disclosed
US-10570138-B2 Indole AHR inhibitors and uses thereof KYN THERAPEUTICS (US) 2020-02-25 US disclosed
CN-110831600-A Indole AHR inhibitors and uses thereof 金恩医疗公司 2020-02-21 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
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-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-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 US disclosed
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-14 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
WO-2015035051-A1 METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-03-12 WO disclosed
EP-0306861-B1 STABILISATION OF CHLOROFLUOROALKANES Kali-Chemie Aktiengesellschaft (DE) 1992-12-30 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 (9 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-10570138-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 FBP1 3503/4885ALDH1A1 316/4885MAPT 4171/4885
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-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 FBP1 3503/4885ALDH1A1 316/4885MAPT 4171/4885
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 FBP1 3503/4885ALDH1A1 316/4885MAPT 4171/4885
US-10689388-B1 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 FBP1 3503/4885ALDH1A1 316/4885MAPT 4171/4885
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 FBP1 3503/4885ALDH1A1 316/4885MAPT 4171/4885
US-20160200695-A1 Methods and Compositions for Selective and Targeted Cancer Therapy NCOA4, SREBF1, ACOX1 FBP1 1047/4885ALDH1A1 88/4885MAPT 2945/4885
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.