SCHEMBL646962

SCHEMBL646962

O=[N+]([O-])c1c[c]cc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
TDP1 Q9NUW8 3/20 0.53
TSHR P16473 2/20 0.53
HPRT1 P00492 1/20 0.47
CASP6 P55212 1/20 0.47
CYP3A4 P08684 1/20 0.46
CTSB P07858 2/20 0.43
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 1/20 0.38
HPGD P15428 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL386943 0.78 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4MAPT
Water SCHEMBL27605675 0.78 ALDH1A1 (0.96) ALDH1A1TDP1TSHRHPRT1CASP6
SCHEMBL27780773 0.75 ALDH1A1 (1.00) ALDH1A1TDP1TSHRHPRT1CASP6
SCHEMBL57184 0.75 ALDH1A1 (1.00) ALDH1A1TDP1TSHRHPRT1CASP6
SCHEMBL29378762 0.75 ALDH1A1 (1.00) ALDH1A1TDP1TSHRHPRT1CASP6
Methane SCHEMBL28324670 0.74 ALDH1A1 (0.96) ALDH1A1TDP1TSHRHPRT1CASP6
Ammonia Solution, Strong SCHEMBL8944844 0.74 ALDH1A1 (0.96) ALDH1A1TDP1TSHRHPRT1CASP6
Hydrochloric Acid SCHEMBL27836169 0.74 ALDH1A1 (0.96) ALDH1A1TDP1TSHRHPRT1CASP6
SCHEMBL28264950 0.74 ALDH1A1 (0.96) ALDH1A1TDP1TSHRHPRT1CASP6
SCHEMBL28300398 0.74 ALDH1A1 (0.96) ALDH1A1TDP1TSHRHPRT1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834537-B2 Compounds as chloride channel blocking agent KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-05 US claimed
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-28 US claimed
JP-2002514197-A 2002-05-14 JP claimed
EP-0944594-A4 INHIBITORS OF THE ENZYMATIC ACTIVITY OF PSA LILLY CO ELI (US) 2000-05-03 EP claimed
EP-0944594-A1 INHIBITORS OF THE ENZYMATIC ACTIVITY OF PSA ELI LILLY AND COMPANY (US) 1999-09-29 EP claimed
WO-1998025895-A1 INHIBITORS OF THE ENZYMATIC ACTIVITY OF PSA ELI LILLY AND COMPANY (US) 1998-06-18 WO claimed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9834537-B2 Compounds as chloride channel blocking agent KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-12-05 US disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
CN-104955332-A Method for controlling arthropod pest SUMITOMO CHEMICAL CO 2015-09-30 CN disclosed
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-28 US disclosed
CN-1118781-A Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 1996-03-20 CN disclosed
US-5496849-A THROMBOXANE A2 RECEPTOR ANTAGONISTS TORAY INDUSTRIES, INC. (JP) 1996-03-05 US disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
EP-0621273-A1 NOVEL SULFONIC ACIDE DERIVATIVE AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-10-26 EP disclosed
EP-0272213-B1 PROCESS FOR THE OXIDATION OF AROMATIC SECONDARY ALCOHOLS CIBA-GEIGY AG (CH) 1991-07-10 EP disclosed
US-4824612-A REACTING A SULFONYL CHLORIDE TO FORM AROMATIC KETONES AND SULFINIC ACIDS CIBA-GEIGY CORPORATION (US) 1989-04-25 US disclosed
EP-0272213-A2 Process for the oxidation of aromatic secondary alcohols CIBA-GEIGY AG (CH) 1988-06-22 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 (2 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 ALDH1A1 3053/4885TDP1 4674/4885TSHR 507/4885
US-20150148550-A1 NOVEL COMPOUNDS AS CHLORIDE CHANNEL BLOCKING AGENT CACNB2, CACNB1, CACNB4 ALDH1A1 4200/4885TDP1 4801/4885TSHR 2927/4885

“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.