SCHEMBL171927

SCHEMBL171927

Cc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
TSHR P16473 4/20 0.67
TDP1 Q9NUW8 3/20 0.67
CYP3A4 P08684 3/20 0.60
HIF1A Q16665 1/20 0.57
MAPT P10636 7/20 0.55
LMNA P02545 5/20 0.55
HTT P42858 3/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 1/20 0.55
ACHE P22303 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PDE2A O00408 1/20 0.50
PDE5A O76074 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
APEX1 P27695 1/20 0.50
PDE4A P27815 1/20 0.50
BLM P54132 1/20 0.50

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
SCHEMBL17070610 1.00 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL19748062 0.86 ALDH1A1 (0.55) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL12444157 0.83 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL165419 0.83 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL29887835 0.83 ALDH1A1 (0.67) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL29511002 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL29379039 0.80 ALDH1A1 (0.69) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL85604 0.80 ALDH1A1 (0.69) ALDH1A1TSHRTDP1CYP3A4HIF1A
SCHEMBL384312 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1CYP3A4MAPT
SCHEMBL28252591 0.80 ALDH1A1 (0.69) ALDH1A1TSHRTDP1CYP3A4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117088786-A Eptification intermediate and preparation method thereof 上海医药工业研究院有限公司 2023-11-21 CN claimed
US-20210005931-A1 NONAQUEOUS ELECTROLYTE, ENERGY STORAGE DEVICE, AND METHOD FOR PRODUCING ENERGY STORAGE DEVICE GS YUASA INTERNATIONAL LTD. (JP) 2021-01-07 US claimed
EP-3477758-B1 NONAQUEOUS ELECTROLYTE, POWER STORAGE ELEMENT, AND METHOD FOR PRODUCING POWER STORAGE ELEMENT GS YUASA INT LTD (JP) 2020-12-16 EP claimed
EP-3477758-A1 NONAQUEOUS ELECTROLYTE, POWER STORAGE ELEMENT, AND METHOD FOR PRODUCING POWER STORAGE ELEMENT GS Yuasa International Ltd. (JP) 2019-05-01 EP claimed
CN-103304439-B The preparation method of the fluoro-N-methyl-benzamide of a kind of 4-amino-2- Changzhou University (CN) 2015-08-12 CN claimed
CN-104710367-A Method for synthesizing enzalutamide UNIV CHINA PHARMA 2015-06-17 CN claimed
US-20150112082-A1 DIARYLHYDANTOIN COMPOUNDS HOWARD HUGHES MEDICAL INSTITUTE 2015-04-23 US claimed
US-8962890-B1 Multifunctional crosslinkers for shape-memory polyimides, polyamides and poly(amide-imides) and methods of making the same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2015-02-24 US claimed
CN-103304439-A Preparation method of 4-amino-2-fluoro-methyl benzamide UNIV CHANGZHOU 2013-09-18 CN claimed
US-7651885-B2 Electronic device fabrication process XEROX CORPORATION (US) 2010-01-26 US claimed
US-20070141747-A1 Electronic device fabrication process XEROX CORPORATION 2007-06-21 US claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US claimed
US-7132219-B2 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE INC. (US) 2006-11-07 US claimed
EP-1493061-A2 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION Brewer Science, Inc. (US) 2005-01-05 EP claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP claimed
US-20030219541-A1 Polymeric antireflective coatings deposited by plasma enhanced chemical vapor deposition BREWER SCIENCE, INC. 2003-11-27 US claimed
WO-2003087233-A2 POLYMERIC ANTIREFLECTIVE COATINGS DEPOSITED BY PLASMA ENHANCED CHEMICAL VAPOR DEPOSITION BREWER SCIENCE, INC. (US) 2003-10-23 WO claimed
US-4734532-A HIGH SPEED OXIDATIVE DIMERIZATION OF 4-NITROTOLUENE BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 US claimed
US-4502995-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-03-05 US claimed

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-20150112082-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG ALDH1A1 911/4885TSHR 2502/4885TDP1 2211/4885

“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.