SCHEMBL2840177

SCHEMBL2840177

CC(=O)NC1Cc2cccc([N+](=O)[O-])c2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.41
PYGM P11217 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 4/20 0.37
POLB P06746 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ACHE P22303 1/20 0.35
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL2840941 0.81 ALDH1A1 (0.33) PYGLPYGMSMN1; SMN2ALDH1A1MAPT
SCHEMBL2840482 0.80 PYGL (0.40) PYGLPYGMALDH1A1POLBMTNR1A
SCHEMBL15681090 0.78 PSMB11 (0.32) PYGLPYGMALDH1A1MAPTKDM4E
SCHEMBL13090465 0.78 ACHE (0.40) SMN1; SMN2KMT2AMEN1CHRNB2CHRNA4
SCHEMBL15681161 0.75 CHRNB2 (0.40) KMT2AMEN1CHRNB2CHRNA4ALDH1A1
SCHEMBL15681048 0.75 CHRNB2 (0.40) SMN1; SMN2KMT2AMEN1CHRNB2CHRNA4
SCHEMBL2837105 0.73 PYGL (0.60) PYGLPYGMMTNR1AMTNR1B
SCHEMBL13007537 0.73 SIRT2 (0.45) PYGLPYGMSMN1; SMN2KMT2AMEN1
SCHEMBL2843497 0.70 GPR35 (0.34) PYGLPYGMKMT2AMEN1ALDH1A1
SCHEMBL2843494 0.70 GPR35 (0.34) PYGLPYGMKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2241564-B1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARM CO LTD (JP) 2014-04-30 EP disclosed
US-8501772-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-8501772-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
US-8501772-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-08-06 US disclosed
CN-101939313-B 3,8-diaminotetrahydroquinoline derivative ZERIA PHARM CO LTD 2013-05-22 CN disclosed
US-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-01-10 US disclosed
US-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-01-10 US disclosed
US-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2013-01-10 US disclosed
US-8299255-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
US-8299255-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
US-8299255-B2 3,8-diaminotetrahydroquinoline derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
CN-101939313-A 3,8-diamino tetrahydroquinoline derivative ZERIA PHARM CO LTD 2011-01-05 CN disclosed
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD (JP) 2010-12-16 US disclosed
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD (JP) 2010-12-16 US disclosed
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD (JP) 2010-12-16 US disclosed
EP-2241564-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2010-10-20 EP disclosed
WO-2009098901-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 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-20130012537-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE MC2R, GHRHR, REN PYGL 302/4885PYGM 305/4885SMN1; SMN2 114/4885
US-20100317693-A1 3,8-DIAMINOTETRAHYDROQUINOLINE DERIVATIVE GHSR, GHRHR, GNRHR PYGL 1140/4885PYGM 227/4885SMN1; SMN2 260/4885

“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.