SCHEMBL3157181

SCHEMBL3157181

CCN(CC)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
KCNH2 Q12809 3/20 0.56
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
HRH3 Q9Y5N1 1/20 0.55
PYCR1 P32322 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.52
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.47
IDO1 P14902 1/20 0.47
ACHE P22303 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL3161766 0.90 CYP1A2 (0.75) CYP2C19CYP1A2CYP2D6CYP2C9KCNH2
SCHEMBL15392240 0.88 LOXL2 (0.59) CYP2C19CYP1A2CYP2D6CYP2C9KCNH2
SCHEMBL22340481 0.85 CYP1A2 (0.50) CYP2C19CYP1A2CYP2D6CYP2C9KCNH2
SCHEMBL7231705 0.85 PYCR1 (0.55) CYP2C19CYP1A2CYP2D6CYP2C9KCNH2
SCHEMBL1206139 0.85 HRH3 (0.58) CYP2C19CYP1A2CYP2D6CYP2C9KCNH2
SCHEMBL1852954 0.84 CYP1A2 (0.56) CYP2C19CYP1A2CYP2D6CYP2C9KCNH2
SCHEMBL3154646 0.83 PYCR1 (0.66) CYP2C19CYP1A2CYP2D6CYP2C9KCNH2
SCHEMBL17539702 0.83 CYP1A2 (0.62) CYP2C19CYP1A2CYP2D6CYP2C9KCNH2
SCHEMBL3157762 0.81 KCNH2 (0.71) KCNH2HRH3LOXL2TSHRATM
SCHEMBL9628232 0.81 KCNH2 (0.76) KCNH2HRH3LOXL2TSHRATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108715589-B Coumarin derivative used as caspase-3 activator and application thereof 华侨大学 2021-04-20 CN disclosed
CN-109265453-A It is a kind of as the semicarbazones analog derivative of caspase-3 activator and its application 华侨大学 2019-01-25 CN disclosed
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
CN-104230845-B Semicarbazone derivatives and application thereof 沈阳药科大学 2017-01-25 CN disclosed
CN-104230845-A Semicarbazone derivatives and application thereof UNIV SHENYANG PHARMACEUTICAL 2014-12-24 CN disclosed
US-20120149866-A1 Solvent resistant polymers MOHANTY DILLIP K (US) 2012-06-14 US disclosed
US-20120149866-A1 Solvent resistant polymers MOHANTY DILLIP K (US) 2012-06-14 US disclosed
US-8101708-B2 Solvent resistant polymers MOHANTY DILLIP K (US) 2012-01-24 US disclosed
US-8101708-B2 Solvent resistant polymers MOHANTY DILLIP K (US) 2012-01-24 US disclosed
US-20110172385-A1 Solvent resistant polymers MOHANTY DILLIP K 2011-07-14 US disclosed
US-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MSD K.K. (JP) 2007-12-27 US disclosed
CN-101065356-A 2-arylcarboxamide-nitrogen-containing heterocyclic compounds BANYU PHARMA CO LTD (JP) 2007-10-31 CN disclosed
EP-1798221-A1 2-ARYLCARBOXAMIDE-NITROGENEOUS HETEROCYCLE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-20 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
CN-1391557-A 6-substituted indolinones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2003-01-15 CN disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed
US-4339461-A FUNGICIDES CHEVRON RESEARCH COMPANY (US) 1982-07-13 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 (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-20070299070-A1 2-Arylcarboxamide-Nitrogenous Heterocycle Compound MCHR2, MCHR1, NPY2R CYP2C19 389/4885CYP1A2 180/4885CYP2D6 686/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 CYP2C19 4389/4885CYP1A2 4043/4885CYP2D6 3664/4885

“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.