SCHEMBL444703

SCHEMBL444703

O=[N+]([O-])c1cccnc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
RAB9A P51151 3/20 0.53
PDE10A Q9Y233 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
POLB P06746 1/20 0.50
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ATM Q13315 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL28567279 0.87 PDE10A (0.50) ALDH1A1MEN1KMT2ARAB9APDE10A
SCHEMBL29940575 0.86 PDE10A (0.60) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL6512953 0.86 PDE10A (0.60) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL14089956 0.85 TRPV1 (0.58) ALDH1A1TDP1PDE10ATRPV1POLB
SCHEMBL7841891 0.85 PDE10A (0.55) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL1736168 0.84 MEN1 (0.57) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL1736457 0.84 PAX8 (0.57) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL1738384 0.84 MAPT (0.52) ALDH1A1TDP1MEN1KMT2ARAB9A
SCHEMBL30269976 0.84 CYP2A6 (0.54) ALDH1A1PDE10ATRPV1POLBNPC1
SCHEMBL27930436 0.84 TRPV1 (0.51) ALDH1A1TDP1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6558650-B1 Exposing tumor cells to a nifedipine photodegradation product; OREGON HEALTH AND SCIENCE UNIVERSITY 2003-05-06 US claimed
EP-1069918-A4 ENHANCEMENT OF CELLULAR GALLIUM UPTAKE UNIV OREGON HEALTH SCIENCES (US) 2002-02-20 EP claimed
EP-1069918-A1 ENHANCEMENT OF CELLULAR GALLIUM UPTAKE Oregon Health Sciences University (US) 2001-01-24 EP claimed
WO-1999051277-A1 ENHANCEMENT OF CELLULAR GALLIUM UPTAKE OREGON HEALTH SCIENCES UNIVERSITY (US) 1999-10-14 WO claimed
US-12043730-B2 Fused deposition modeling type additive manufacturing material MITSUBISHI CHEMICAL CORPORATION (JP) 2024-07-23 US disclosed
CN-118239988-A Preparation method and application of heterochiral binuclear Ir (III) metal-organic double-helix structure compound 大连理工大学 2024-06-25 CN disclosed
US-11723269-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-08-08 US disclosed
US-11723269-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-08-08 US disclosed
US-11723269-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-08-08 US disclosed
EP-3238711-B1 BASE FOR SOLID DISPERSION, PRODUCTION METHOD FOR SOLID DISPERSION USING SAME, AND SOLID DISPERSION MITSUBISHI CHEM CORP (JP) 2023-07-12 EP disclosed
EP-3831879-B1 MATERIAL FOR FUSED DEPOSITION MODELING TYPE ADDITIVE MANUFACTURING MITSUBISHI CHEM CORP (JP) 2023-07-12 EP disclosed
EP-4032527-A1 STABLE NIMODIPINE PARENTERAL FORMULATION Grace Therapeutics Inc. (US) 2022-07-27 EP disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO disclosed
EP-1119356-A1 RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2001-08-01 EP disclosed
US-6241964-B1 (F18)(2-FLUOROMETHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOLE-1-YL) -BENZYL)-((2S,3S)-2-PHENYL-PIPERIDINE-3-YL)-AMINE OR SALT; HUMAN BRAIN TISSUE IMAGING USING POSITRON EMISSION TOMOGRAPHY MERCK & CO., INC. 2001-06-05 US disclosed
EP-0998304-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLODEXTRINS JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-10 EP disclosed
WO-2000018403-A1 RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-04-06 WO disclosed
WO-1998055148-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLODEXTRINS JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-10 WO disclosed
US-4886822-A SIDE EFFECT REDUCTION KOWA COMPANY, LTD. (JP) 1989-12-12 US disclosed
EP-0286979-A1 Substituted anilide derivatives KOWA COMPANY, LTD. (JP) 1988-10-19 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 (1 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-11723269-B2 Organic electroluminescent materials and devices PUF60, CD99, DDT ALDH1A1 1307/4885TDP1 3123/4885MEN1 878/4885

“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.