SCHEMBL9719324

SCHEMBL9719324

Cc1cccc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TSHR P16473 5/20 0.53
TDP1 Q9NUW8 5/20 0.53
CYP1A2 P05177 1/20 0.53
ACHE P22303 2/20 0.52
CYP3A4 P08684 3/20 0.50
LMNA P02545 1/20 0.50
CYP19A1 P11511 1/20 0.49
CYP2A6 P11509 1/20 0.45
MAPT P10636 3/20 0.44
THRB P10828 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RORC P51449 1/20 0.43
NPBWR1 P48145 1/20 0.43

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
SCHEMBL9719317 0.86 ALDH1A1 (0.53) ALDH1A1TSHRTDP1CYP1A2ACHE
SCHEMBL28257786 0.81 TSHR (0.54) ALDH1A1TSHRTDP1CYP1A2ACHE
SCHEMBL8668528 0.80 TSHR (0.66) ALDH1A1TSHRTDP1ACHECYP3A4
SCHEMBL5248911 0.80 TSHR (0.66) ALDH1A1TSHRTDP1CYP1A2ACHE
SCHEMBL16289713 0.79 TSHR (0.50) ALDH1A1TSHRTDP1CYP1A2ACHE
SCHEMBL774702 0.79 TSHR (0.52) ALDH1A1TSHRTDP1CYP1A2LMNA
SCHEMBL14375281 0.79 HSD17B10 (0.53) ALDH1A1TSHRTDP1CYP1A2LMNA
SCHEMBL8489789 0.79 TSHR (0.50) ALDH1A1TSHRTDP1CYP1A2ACHE
SCHEMBL31447779 0.79 TDP1 (0.52) ALDH1A1TSHRTDP1CYP3A4LMNA
SCHEMBL8686354 0.79 TDP1 (0.52) ALDH1A1TSHRTDP1CYP3A4LMNA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110231206-A The pre-treating method of persistence organic pollutant in a kind of quick measurement Atmospheric particulates 北京化工大学 2019-09-13 CN claimed
CN-110231206-A The pre-treating method of persistence organic pollutant in a kind of quick measurement Atmospheric particulates 北京化工大学 2019-09-13 CN disclosed
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-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
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP disclosed
US-20110071146-A1 17BetaHSD Type 5 Inhibitor ASTELLAS PHARMA INC. 2011-03-24 US disclosed
US-20110071146-A1 17BetaHSD Type 5 Inhibitor ASTELLAS PHARMA INC. 2011-03-24 US disclosed
US-7855225-B2 17βHSD type 5 inhibitor ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-7855225-B2 17βHSD type 5 inhibitor ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-20090181960-A1 Selective enzyme inhibitors of 17-beta-hydroxysteroid dehydrogenase (17 beta HSD); 1-[(4-bromophenyl)sulfonyl]-1H-indole-3-carboxylic acid, andanalogues; benign prostate hyperplasia; prostate cancer; acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, breast cancer ASTELLAS PHARMA INC. (JP) 2009-07-16 US disclosed
US-20090181960-A1 Selective enzyme inhibitors of 17-beta-hydroxysteroid dehydrogenase (17 beta HSD); 1-[(4-bromophenyl)sulfonyl]-1H-indole-3-carboxylic acid, andanalogues; benign prostate hyperplasia; prostate cancer; acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, breast cancer ASTELLAS PHARMA INC. (JP) 2009-07-16 US disclosed
EP-1990335-A1 17 BETA HSD TYPE 5 INHIBITOR Astellas Pharma Inc. (JP) 2008-11-12 EP disclosed
US-5138098-A Catalytic actlation using complexing agent AMOCO CORPORATION (US) 1992-08-11 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 (4 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-20110071146-A1 17BetaHSD Type 5 Inhibitor CYP17A1, HSD17B3, HSD3B1 ALDH1A1 915/4885TSHR 2081/4885TDP1 4272/4885
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 ALDH1A1 3053/4885TSHR 507/4885TDP1 4674/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 ALDH1A1 3265/4885TSHR 235/4885TDP1 4654/4885
US-20090181960-A1 Selective enzyme inhibitors of 17-beta-hydroxysteroid dehydrogenase (17 beta HSD); 1-[(4-bromophenyl)sulfonyl]-1H-indole-3-carboxylic acid, andanalogues; benign prostate hyperplasia; prostate cancer; acne, seborrhea, hirsutism, baldness, alopecia, precocious puberty, adrenal hypertrophy, breast cancer CYP17A1, HSD17B3, HSD17B1 ALDH1A1 183/4885TSHR 1788/4885TDP1 2842/4885

“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.