SCHEMBL5385754

SCHEMBL5385754

COC(=O)c1ccc(N)c(/C=C/C(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.46
ALDH1A1 P00352 9/20 0.46
MAPT P10636 9/20 0.46
HPGD P15428 7/20 0.46
GAA P10253 4/20 0.46
HSD17B10 Q99714 4/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.40
LMNA P02545 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5385765 1.00 KDM4E (0.46) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL5392736 0.88 ALDH1A1 (0.51) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL5392742 0.88 ALDH1A1 (0.51) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL16971191 0.85 NOTUM (0.42) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL16971192 0.85 NOTUM (0.42) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL1496056 0.83 LCK (0.42) KDM4EALDH1A1MAPTATMNPC1
SCHEMBL1496059 0.83 LCK (0.42) KDM4EALDH1A1MAPTATMNPC1
SCHEMBL4206326 0.82 CYP3A4 (0.41) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL4206316 0.82 CYP3A4 (0.41) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL20171888 0.78 KDM4E (0.44) KDM4EALDH1A1MAPTHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49698-E1 Substituted dihydroquinazolines AIC246 AG & CO. KG (DE) 2023-10-17 US disclosed
US-RE49698-E1 Substituted dihydroquinazolines AIC246 AG & CO. KG (DE) 2023-10-17 US disclosed
US-RE49698-E1 Substituted dihydroquinazolines AIC246 AG & CO. KG (DE) 2023-10-17 US disclosed
US-RE46791-E1 Substituted dihydroquinazolines AICURIS ANTI-INFECTIVE CURES GMBH (DE) 2018-04-17 US disclosed
US-RE46791-E1 Substituted dihydroquinazolines AICURIS ANTI-INFECTIVE CURES GMBH (DE) 2018-04-17 US disclosed
US-RE46791-E1 Substituted dihydroquinazolines AICURIS ANTI-INFECTIVE CURES GMBH (DE) 2018-04-17 US disclosed
US-8513255-B2 Substituted dihydroquinazolines AiCuris GmbH + Co. KG. (DE) 2013-08-20 US disclosed
US-8513255-B2 Substituted dihydroquinazolines AiCuris GmbH + Co. KG. (DE) 2013-08-20 US disclosed
US-8513255-B2 Substituted dihydroquinazolines AiCuris GmbH + Co. KG. (DE) 2013-08-20 US disclosed
US-20070191387-A1 Substituted dihydroquinazolines BAYER HEALTHCARE AG (DE) 2007-08-16 US disclosed
US-20070191387-A1 Substituted dihydroquinazolines BAYER HEALTHCARE AG (DE) 2007-08-16 US disclosed
US-20070191387-A1 Substituted dihydroquinazolines BAYER HEALTHCARE AG (DE) 2007-08-16 US disclosed
US-7196086-B2 Substituted dihydroquinazolines BAYER HEALTHCARE AG (DE) 2007-03-27 US disclosed
US-7196086-B2 Substituted dihydroquinazolines BAYER HEALTHCARE AG (DE) 2007-03-27 US disclosed
US-7196086-B2 Substituted dihydroquinazolines BAYER HEALTHCARE AG (DE) 2007-03-27 US disclosed
EP-1622880-B1 SUBSTITUTED DIHYDROCHINAZOLINES HAVING ANTIVIRAL PROPERTIES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
US-20050065160-A1 Substituted dihydroquinazolines BAYER HEALTHCARE AG (DE) 2005-03-24 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 (2 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-20050065160-A1 Substituted dihydroquinazolines TPMT, TYMP, DPYD KDM4E 3034/4885ALDH1A1 2784/4885MAPT 1906/4885
US-20070191387-A1 Substituted dihydroquinazolines TPMT, TYMP, DPYD KDM4E 3034/4885ALDH1A1 2784/4885MAPT 1906/4885

“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.