SCHEMBL16104992

SCHEMBL16104992

Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.74
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
PKM P14618 1/20 0.71
DRD4 P21917 1/20 0.61
ALDH1A1 P00352 6/20 0.59
MAPT P10636 3/20 0.59
AHR P35869 1/20 0.59
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55

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
SCHEMBL16096264 0.87 KMT2A (0.69) L3MBTL1KMT2AMEN1PKMALDH1A1
SCHEMBL16098528 0.86 KMT2A (0.68) L3MBTL1KMT2AMEN1PKMALDH1A1
SCHEMBL16097736 0.86 ALDH1A1 (0.72) L3MBTL1KMT2AMEN1PKMALDH1A1
SCHEMBL3222146 0.86 KMT2A (0.68) L3MBTL1KMT2AMEN1PKMALDH1A1
SCHEMBL3147066 0.85 KMT2A (0.67) L3MBTL1KMT2AMEN1PKMDRD4
SCHEMBL16098653 0.85 KMT2A (0.84) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL6816195 0.84 MEN1 (0.71) L3MBTL1KMT2AMEN1PKMALDH1A1
SCHEMBL29483735 0.83 KMT2A (1.00) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL4020263 0.82 RAB9A (0.57) L3MBTL1KMT2AALDH1A1MAPTKDM4E
SCHEMBL16099186 0.81 KMT2A (0.67) L3MBTL1KMT2AMEN1PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10130633-B2 Compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-20 US disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 EP disclosed
EP-2976327-B1 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma AG (DE) 2017-06-21 EP disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
US-20160263122-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-15 US disclosed
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
EP-2976327-A2 3-ACETYLAMINO-1-(PHENYL-HETEROARYL-AMINOCARBONYL OR PHENYL-HETEROARYL-CARBONYLAMINO)BENZENE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
EP-2976343-A2 SUBSTITUTED N-BIPHENYL-3-ACETYLAMINO-BENZAMIDES AND N-[3-(ACETYLAMINO)PHENYL]-BIPHENYL-CARBOXAMIDES AND THEIR USE AS INHIBITORS OF THE WNT SIGNALLING PATHWAY Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
WO-2014147021-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
WO-2014147182-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
WO-2014147182-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
WO-2014147021-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 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 (3 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-20160263122-A1 NOVEL COMPOUNDS NAT1, AADAC, CBR3 L3MBTL1 1385/4885KMT2A 1172/4885MEN1 368/4885
US-20160052898-A1 NOVEL COMPOUNDS AADAC, NAT1, CCNA1 L3MBTL1 4069/4885KMT2A 336/4885MEN1 901/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 L3MBTL1 1307/4885KMT2A 1367/4885MEN1 472/4885

“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.