SCHEMBL5842574

SCHEMBL5842574

CN(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
CRHBP P24387 2/20 0.71
CRHR2 Q13324 2/20 0.71
TLR9 Q9NR96 2/20 0.71
ATM Q13315 2/20 0.71
SMN1; SMN2 Q16637 3/20 0.58
MAPK1 P28482 3/20 0.58
MAPT P10636 3/20 0.58
TNNI3 P19429 2/20 0.58
TNNT2 P45379 2/20 0.58
TNNC1 P63316 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 2/20 0.57

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
SCHEMBL12047751 0.94 ALDH1A1 (0.82) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL14165160 0.92 MAPT (0.60) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL21474173 0.92 MAPT (0.60) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL17746790 0.90 SMN1; SMN2 (0.69) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL12048280 0.90 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL17746789 0.90 SMN1; SMN2 (0.69) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL12047857 0.88 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL12048225 0.88 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL12048353 0.88 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL12048633 0.86 KMT2A (0.69) ALDH1A1MEN1KMT2AL3MBTL1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110294713-A A kind of preparation method of imidazoles methylamine like derivative 西华大学 2019-10-01 CN disclosed
CN-110294714-A Imidazoles methylamine like derivative and its synthetic method with indoles amine -2,3- dioxygenase (IDO) inhibitor activity 西华大学 2019-10-01 CN disclosed
EP-3147333-B1 DISPERSE DYE COMPOSITION, DISPERSE DYE AND PREPARATION METHOD AND USE THEREOF ZHEJIANG RUNTU CO LTD (CN) 2017-11-01 EP disclosed
US-9028977-B2 Compound, method for preparing same and organic electronic device using same LG CHEM, LTD. (KR) 2015-05-12 US disclosed
US-9028977-B2 Compound, method for preparing same and organic electronic device using same LG CHEM, LTD. (KR) 2015-05-12 US disclosed
US-8968884-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2015-03-03 US disclosed
US-8968884-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2015-03-03 US disclosed
US-8410475-B2 Compounds and organic light emitting diode using the same LG CHEM, LTD. (KR) 2013-04-02 US disclosed
US-8410475-B2 Compounds and organic light emitting diode using the same LG CHEM, LTD. (KR) 2013-04-02 US disclosed
US-8071227-B2 Compounds and organic light emitting diode using the same LG CHEM, LTD. (KR) 2011-12-06 US disclosed
US-20070292715-A1 New Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-12-20 US disclosed
US-20070292715-A1 New Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-12-20 US disclosed
US-20070262706-A1 New Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-11-15 US disclosed
US-20070262706-A1 New Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-11-15 US disclosed
US-20070247059-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-10-25 US disclosed
US-20070247059-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2007-10-25 US disclosed
US-7067549-B2 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2006-06-27 US disclosed
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US disclosed
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO 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-20050192292-A1 Pyrrolidone carboxamides NPY1R, NPY5R, NPY2R ALDH1A1 3034/4885MEN1 3619/4885KMT2A 3347/4885
US-20070247059-A1 Compound and Organic Light Emitting Device Using the Same PPOX, CRY1, CRY2 ALDH1A1 318/4885MEN1 2423/4885KMT2A 2026/4885

“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.