SCHEMBL59736

SCHEMBL59736

CC1(C)OB(c2ccc([N+](=O)[O-])c(F)c2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LPL P06858 9/20 0.45
LIPG Q9Y5X9 9/20 0.45
ALDH1A1 P00352 1/20 0.44
HIF1A Q16665 1/20 0.44
ROCK1 Q13464 1/20 0.42
ESPL1 Q14674 1/20 0.41
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 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
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL2489484 0.88 ALDH1A1 (0.56) ATMTDP1LPLLIPGALDH1A1
SCHEMBL28452550 0.85 CA1 (0.40) LPLLIPGALDH1A1HIF1ACA1
SCHEMBL3678053 0.83 MAPT (0.45) LPLLIPGALDH1A1CA1CA2
SCHEMBL29398685 0.83 MAPT (0.45) LPLLIPGALDH1A1CA1CA2
SCHEMBL23830122 0.82 ALDH1A1 (0.40) ATMTDP1LPLLIPGALDH1A1
SCHEMBL1065935 0.82 TDP1 (0.49) TDP1LPLLIPGALDH1A1CA1
SCHEMBL28453522 0.82 TSHR (0.49) TDP1LPLLIPGALDH1A1CA1
SCHEMBL28452806 0.82 LPL (0.39) TDP1LPLLIPGCA1CA2
SCHEMBL1284877 0.82 GPR35 (0.51) TDP1LPLLIPGALDH1A1HIF1A
SCHEMBL20136292 0.81 CA1 (0.40) LPLLIPGALDH1A1HIF1ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574426-A Diamine monomer containing isoindigo structure and black polyimide synthesized from diamine monomer 湘潭大学 2020-08-25 CN claimed
WO-2026107424-A1 N-(4-(IMIDAZO[4,5-B]PYRIDIN-5-YL)-2-PYRIDYL)BENZAMIDE DERIVATIVES AS CAMK2 INHIBITORS FOR THE TREATMENT OF HEART FAILURE BRISTOL-MYERS SQUIBB COMPANY (US) 2026-05-21 WO disclosed
WO-2026107418-A1 N-(4-(1H-BENZO[D[IMIDAZOL-6-YL)-PYRIDIN-2-YL)BENZAMIDE DERIVATIVES AS CAMK2 INHIBITORS FOR THE TREATMENT OF HEART FAILURE BRISTOL-MYERS SQUIBB COMPANY (US) 2026-05-21 WO disclosed
WO-2026107420-A1 N-(4-(1H-BENZO[D[IMIDAZOL-6-YL)-PYRIDIN-2-YL)BENZAMIDE DERIVATIVES AS CAMK2 INHIBITORS FOR THE TREATMENT OF HEART FAILURE BRISTOL-MYERS SQUIBB COMPANY (US) 2026-05-21 WO disclosed
WO-2026107425-A1 5-(PYRIDIN-4-YL)-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS CAMK2 INHIBITORS FOR THE TREATMENT OF HEART FAILURE BRISTOL-MYERS SQUIBB COMPANY (US) 2026-05-21 WO disclosed
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA INC (US) 2026-04-16 US disclosed
US-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-03-31 US disclosed
EP-3508204-B1 QUINAZOLIN-8-YL DERIVATIVES FOR USE IN METHODS OF TREATING MELANOMA, NON-SMALL CELL LUNG CANCER, THYROID CANCER, OVARIAN CANCER, OR COLON CANCER NEUPHARMA INC (US) 2026-02-11 EP disclosed
US-12403145-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC (US) 2025-09-02 US disclosed
CN-116444499-B Phenylalanine derivative containing 4-quinazolinone and preparation method and application thereof 山东大学 2024-09-06 CN disclosed
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2010-07-15 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
EP-2068869-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES Abbott Laboratories (US) 2009-06-17 EP disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 US disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 US disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 US disclosed
WO-2008063287-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES ABBOTT LABORATORIES (US) 2008-05-29 WO disclosed
WO-2008063287-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES ABBOTT LABORATORIES (US) 2008-05-29 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 (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-12403145-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 ATM 362/4885TDP1 1037/4885LPL 3730/4885
US-20100179125-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, CDKL4, MKI67 ATM 2164/4885TDP1 493/4885LPL 3508/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 ATM 2213/4885TDP1 446/4885LPL 3425/4885
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles MAP3K1, MAP3K19, MAP3K5 ATM 814/4885TDP1 2329/4885LPL 4598/4885
US-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof ABL1, TH, CYP3A43 ATM 3283/4885TDP1 2058/4885LPL 4355/4885
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY BRAF, TTK, MAP4K2 ATM 102/4885TDP1 1468/4885LPL 3374/4885

“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.