SCHEMBL16098940

SCHEMBL16098940

O=C(CCl)Nc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
POLB P06746 1/20 0.64
ALDH1A1 P00352 6/20 0.62
LMNA P02545 2/20 0.62
PDK1 Q15118 1/20 0.58
PDK2 Q15119 1/20 0.58
PDK3 Q15120 1/20 0.58
PDK4 Q16654 1/20 0.58
MAPT P10636 4/20 0.57
TDP1 Q9NUW8 1/20 0.57
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
GFER P55789 1/20 0.56
MCL1 Q07820 1/20 0.56
RAB9A P51151 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54

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
SCHEMBL6811631 0.88 MAPT (0.67) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL27137471 0.87 KMT2A (0.69) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL26727168 0.85 KMT2A (0.71) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL3207417 0.84 LMNA (0.64) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL16098448 0.84 ALDH1A1 (0.67) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL29979179 0.84 LMNA (0.64) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL16099064 0.84 KMT2A (0.51) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL23412864 0.82 KMT2A (0.67) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL30092969 0.82 KMT2A (0.67) KMT2AMEN1POLBALDH1A1LMNA
SCHEMBL6163236 0.82 KMT2A (0.67) KMT2AMEN1POLBALDH1A1LMNA

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-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
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
WO-2014147021-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
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

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 KMT2A 1172/4885MEN1 368/4885POLB 2069/4885
US-20160052898-A1 NOVEL COMPOUNDS AADAC, NAT1, CCNA1 KMT2A 336/4885MEN1 901/4885POLB 216/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 KMT2A 1367/4885MEN1 472/4885POLB 1722/4885

“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.