SCHEMBL4408076

SCHEMBL4408076

CC(C)(C)c1ccc(N)cc1NC(=O)CN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.58
ALDH1A1 P00352 7/20 0.54
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RAD52 P43351 2/20 0.53
KDM4E B2RXH2 2/20 0.53
GFER P55789 1/20 0.53
EGFR P00533 1/20 0.53
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 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
SCHEMBL14568574 0.89 RAD52 (0.67) ALDH1A1NPSR1RAD52KDM4EGFER
SCHEMBL4409637 0.88 RAD52 (0.65) ALDH1A1NPSR1RAD52KDM4EGFER
SCHEMBL2964946 0.84 RAD52 (0.63) WNT3AALDH1A1GAANPSR1RAD52
SCHEMBL3147066 0.82 KMT2A (0.67) WNT3AALDH1A1GAAKDM4EGFER
SCHEMBL16098263 0.81 ALDH1A1 (0.57) ALDH1A1GAANPSR1RAD52KDM4E
SCHEMBL3207824 0.81 POLB (0.59) ALDH1A1GAANPSR1RAD52KDM4E
SCHEMBL16098331 0.81 POLB (0.69) WNT3AALDH1A1GAANPSR1RAD52
SCHEMBL16097717 0.81 RAD52 (0.59) WNT3AALDH1A1GAANPSR1RAD52
SCHEMBL16097533 0.81 RAD52 (0.80) WNT3AALDH1A1RAD52KDM4EGFER
SCHEMBL26640766 0.81 HRH3 (0.61) ALDH1A1GAANPSR1RAD52KDM4E

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 20 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-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
WO-2014147021-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP disclosed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed
EP-1664027-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP 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-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. 2005-03-10 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 (4 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 WNT3A 3929/4885ALDH1A1 264/4885GAA 616/4885
US-20160052898-A1 NOVEL COMPOUNDS AADAC, NAT1, CCNA1 WNT3A 4230/4885ALDH1A1 325/4885GAA 412/4885
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 WNT3A 2887/4885ALDH1A1 58/4885GAA 392/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 WNT3A 3816/4885ALDH1A1 277/4885GAA 384/4885

“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.