SCHEMBL16098331

SCHEMBL16098331

Nc1ccc(Cl)c(NC(=O)CN2CCOCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
ALDH1A1 P00352 9/20 0.67
GAA P10253 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
KDM4E B2RXH2 2/20 0.56
LMNA P02545 4/20 0.54
MAPT P10636 2/20 0.54
RECQL P46063 1/20 0.54
EIF4H Q15056 1/20 0.54
WNT3A P56704 1/20 0.54
RAD52 P43351 2/20 0.53
GFER P55789 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL6819648 0.91 ALDH1A1 (0.77) POLBL3MBTL1ALDH1A1GAANPSR1
SCHEMBL16098263 0.85 ALDH1A1 (0.57) POLBL3MBTL1ALDH1A1GAANPSR1
SCHEMBL3207824 0.85 POLB (0.59) POLBL3MBTL1ALDH1A1GAANPSR1
SCHEMBL2964946 0.85 RAD52 (0.63) ALDH1A1GAANPSR1KDM4ELMNA
SCHEMBL16097533 0.81 RAD52 (0.80) POLBALDH1A1KDM4ELMNAMAPT
SCHEMBL4408076 0.81 WNT3A (0.58) POLBL3MBTL1ALDH1A1GAANPSR1
SCHEMBL16097736 0.81 ALDH1A1 (0.72) POLBL3MBTL1ALDH1A1GAANPSR1
SCHEMBL6816037 0.79 ALDH1A1 (0.77) POLBL3MBTL1ALDH1A1GAANPSR1
SCHEMBL26640766 0.79 HRH3 (0.61) POLBL3MBTL1ALDH1A1GAANPSR1
SCHEMBL16099036 0.79 WNT3A (0.65) WNT3ARAD52GFER

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-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 POLB 2069/4885L3MBTL1 1385/4885ALDH1A1 264/4885
US-20160052898-A1 NOVEL COMPOUNDS AADAC, NAT1, CCNA1 POLB 216/4885L3MBTL1 4069/4885ALDH1A1 325/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 POLB 1722/4885L3MBTL1 1307/4885ALDH1A1 277/4885

“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.