SCHEMBL8935677

SCHEMBL8935677

Cc1ccc(N=O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
HSD17B10 Q99714 4/20 0.41
TSHR P16473 3/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 2/20 0.41
HIF1A Q16665 2/20 0.41
PMM2 O15305 1/20 0.40
MPI P34949 1/20 0.40
CYP3A4 P08684 2/20 0.39
TRPA1 O75762 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
USP2 O75604 1/20 0.38
GMNN O75496 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6050007 0.80 CYP3A4 (0.50) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL1274930 0.80 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL29577280 0.80 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL639211 0.78 RAB9A (0.52) ALDH1A1HSD17B10TP53MAPK1HIF1A
SCHEMBL22966239 0.78 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL7065478 0.78 CYP3A4 (0.52) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL295740 0.78 MCL1 (0.38) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL13196361 0.78 DAPK3 (0.38) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL21087428 0.78 TSHR (0.46) ALDH1A1HSD17B10TSHRTP53MAPK1
SCHEMBL12458453 0.78 MEN1 (0.40) ALDH1A1HSD17B10TSHRTP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105348113-B N-(1-ethyl propyl)-3,4-dimethylaniline continuous production device and method 绍兴贝斯美化工有限公司 2017-04-19 CN claimed
CN-105348105-B 4-nitro-o-xylene continuous synthesis system and synthesis method 绍兴贝斯美化工有限公司 2017-04-12 CN claimed
CN-106335998-B The electro-catalysis of anode and cathode synergistic oxidation-ozonation technology method 北京交通大学 2019-11-08 CN disclosed
CN-107721804-A A kind of method for preparing ortho-xylene through 3 nitro ortho-xylenes 绍兴贝斯美化工股份有限公司 2018-02-23 CN disclosed
CN-107698437-A A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons 朱翠英 2018-02-16 CN disclosed
CN-107698438-A A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons 朱翠英 2018-02-16 CN disclosed
CN-107698436-A Method for preparing aromatic polycarboxylic acid derivative 朱翠英 2018-02-16 CN disclosed
CN-107698445-A A kind of method for preparing the more formic acid analog derivatives of aromatic hydrocarbons 朱翠英 2018-02-16 CN disclosed
CN-105348113-B N-(1-ethyl propyl)-3,4-dimethylaniline continuous production device and method 绍兴贝斯美化工有限公司 2017-04-19 CN disclosed
CN-105348105-B 4-nitro-o-xylene continuous synthesis system and synthesis method 绍兴贝斯美化工有限公司 2017-04-12 CN disclosed
US-9550772-B2 Azaindole derivatives as multi kinase inhibitors ORIBASE PHARMA (FR) 2017-01-24 US disclosed
US-20100152184-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-06-17 US disclosed
US-20100092474-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
US-20090131501-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof TORREYPINES THERAPEUTICS (US) 2009-05-21 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
CN-1182111-C Nitroso compound and use of it as spin catching agent 兰道克斯实验有限公司 2004-12-29 CN disclosed
CN-1362405-A Nitroso compound and use of it as spin catching agent RANDOV LAB LTD (GB) 2002-08-07 CN disclosed
US-4168279-A Manufacture of amines of the formula Ar--NH--CH2 --R BASF AKTIENGESELLSCHAFT (DE) 1979-09-18 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-20100092474-A1 PHARMACEUTICAL COMBINATIONS HSP90AB1, HEATR6, HEATR1 ALDH1A1 2281/4885HSD17B10 381/4885TSHR 249/4885
US-20090131501-A1 Agents Useful for Reducing Amyloid Precursor Protein and Treating Dementia and Methods of Use Thereof APP, BACE1, PSEN1 ALDH1A1 2149/4885HSD17B10 2230/4885TSHR 4621/4885
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 678/4885HSD17B10 227/4885TSHR 3980/4885
US-20100152184-A1 PHARMACEUTICAL COMPOUNDS RPP30, RPLP1, NR5A1 ALDH1A1 1780/4885HSD17B10 463/4885TSHR 1425/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 ALDH1A1 852/4885HSD17B10 4228/4885TSHR 2283/4885

“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.