SCHEMBL3147066

SCHEMBL3147066

CC(C)(C)c1ccc([N+](=O)[O-])cc1NC(=O)CN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
MEN1 O00255 1/20 0.67
PKM P14618 1/20 0.67
ALDH1A1 P00352 6/20 0.57
MAPT P10636 2/20 0.56
AHR P35869 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
WNT3A P56704 2/20 0.55
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
GFER P55789 1/20 0.52
MCL1 Q07820 1/20 0.52
EGFR P00533 1/20 0.49
DRD4 P21917 1/20 0.48

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
SCHEMBL3147738 0.90 ALDH1A1 (0.65) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL4551336 0.89 ALDH1A1 (0.64) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL16104992 0.85 L3MBTL1 (0.74) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL16096264 0.84 KMT2A (0.69) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL3222146 0.83 KMT2A (0.68) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL16097736 0.83 ALDH1A1 (0.72) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL16098528 0.83 KMT2A (0.68) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL26640148 0.83 KMT2A (0.67) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL16098653 0.83 KMT2A (0.84) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL16099186 0.83 KMT2A (0.67) KMT2AMEN1PKMALDH1A1MAPT

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 44 patents — showing the first 20. 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
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. 2005-03-10 US disclosed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO disclosed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 US disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 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 (8 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 KMT2A 1172/4885MEN1 368/4885PKM 1676/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KMT2A 960/4885MEN1 846/4885PKM 1048/4885
US-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KMT2A 1457/4885MEN1 2237/4885PKM 763/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KMT2A 1457/4885MEN1 2237/4885PKM 763/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 KMT2A 1259/4885MEN1 664/4885PKM 876/4885
US-20160052898-A1 NOVEL COMPOUNDS AADAC, NAT1, CCNA1 KMT2A 336/4885MEN1 901/4885PKM 3423/4885
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 KMT2A 4179/4885MEN1 1682/4885PKM 1258/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 KMT2A 1367/4885MEN1 472/4885PKM 1107/4885

“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.