SCHEMBL680484

SCHEMBL680484

CNCc1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
LOXL2 Q9Y4K0 2/20 0.54
NOS1 P29475 2/20 0.50
NOS3 P29474 1/20 0.50
NOS2 P35228 1/20 0.50
GFER P55789 1/20 0.50
NCF1 P14598 1/20 0.47
ADRB2 P07550 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.42
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL20801568 0.89 CYP3A4 (0.68) CYP3A4ALDH1A1TSHRTDP1MAPT
Propanol SCHEMBL27521399 0.87 NOS3 (0.46) CYP3A4ALDH1A1TSHRTDP1MAPT
SCHEMBL2504209 0.86 KDM4E (0.68) CYP3A4MAPTKDM4ELOXL2NOS1
Hydrochloric Acid SCHEMBL30925271 0.83 KDM4E (0.74) CYP3A4MAPTKDM4ELOXL2NOS1
SCHEMBL24859954 0.81 CYP3A4 (0.71) CYP3A4TSHRTDP1MAPTKDM4E
SCHEMBL11831742 0.80 ALDH1A1 (0.52) CYP3A4ALDH1A1TSHRTDP1MAPT
SCHEMBL21675762 0.80 TAAR1 (0.56) CYP3A4ALDH1A1TDP1MAPTKDM4E
SCHEMBL4865180 0.79 KDM4E (0.54) CYP3A4TSHRMAPTKDM4ELOXL2
SCHEMBL2125786 0.78 TDP1 (0.55) CYP3A4ALDH1A1TSHRTDP1MAPT
SCHEMBL13184538 0.78 KDM4E (0.59) CYP3A4ALDH1A1MAPTKDM4ELOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112698554-A Photoresist cleaning agent for semiconductor process 福建省佑达环保材料有限公司 2021-04-23 CN claimed
CN-107082840-A Acrylamide phenyl boric acid polymer and preparation and application thereof 中国科学院理化技术研究所 2017-08-22 CN claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
EP-1030838-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES Pfizer Products Inc. (US) 2000-08-30 EP claimed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 WO claimed
US-12569563-B2 Selective HDAC6 degraders and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-03-10 US disclosed
US-20260035513-A1 RESIN COMPOSITION, REINFORCED COMPOSITE MATERIAL, SHAPED PRODUCT, AND METHOD OF RECOVERING REINFORCING FIBER FROM REINFORCED COMPOSITE MATERIAL ASAHI KASEI KABUSHIKI KAISHA (JP) 2026-02-05 US disclosed
EP-4578892-A1 RESIN COMPOSITION, COMPOSITE REINFORCING MATERIAL, MOLDED BODY, AND METHOD FOR RECOVERING REINFORCING FIBERS FROM COMPOSITE REINFORCING MATERIAL Asahi Kasei Kabushiki Kaisha (JP) 2025-07-02 EP disclosed
WO-2025127092-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2025-06-19 WO disclosed
CN-120051729-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element 日产化学株式会社 2025-05-27 CN disclosed
CN-119620472-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element using same 日产化学株式会社 2025-03-14 CN disclosed
EP-0128340-A1 Reactive disazo dyes BAYER AG (DE) 1984-12-19 EP disclosed
EP-0084314-A2 Reactive disazo dyes BAYER AG (DE) 1983-07-27 EP disclosed
EP-0083052-A1 Reactive disazo dyes, process for their preparation and their use in dyeing and printing hydroxyl or nitrogen containing fibrous materials BAYER AG (DE) 1983-07-06 EP disclosed
EP-0075808-A2 3,6-Dioxo-1,2-dihydro-7H-pyrazolo(3,4-b)pyridine dyes BAYER AG (DE) 1983-04-06 EP disclosed
EP-0074589-A2 Triazine dyes, their preparation and their use BAYER AG (DE) 1983-03-23 EP disclosed
US-3980677-A Anthraquinone dyestuffs containing sulphonic acid groups BAYER AKTIENGESELLSCHAFT (DT) 1976-09-14 US 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 (5 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 CYP3A4 403/4885ALDH1A1 1197/4885TSHR 252/4885
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ CYP3A4 1880/4885ALDH1A1 4404/4885TSHR 3648/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 CYP3A4 403/4885ALDH1A1 1197/4885TSHR 252/4885
US-12569563-B2 Selective HDAC6 degraders and methods of use thereof HDAC6, HDAC1, HDAC11 CYP3A4 4433/4885ALDH1A1 1630/4885TSHR 345/4885
US-20260035513-A1 RESIN COMPOSITION, REINFORCED COMPOSITE MATERIAL, SHAPED PRODUCT, AND METHOD OF RECOVERING REINFORCING FIBER FROM REINFORCED COMPOSITE MATERIAL TAF1, TAF1L, TAF9 CYP3A4 4008/4885ALDH1A1 2356/4885TSHR 1152/4885

“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.