SCHEMBL23091194

SCHEMBL23091194

CC(C)NC(=O)c1ccc(-c2ccc3[nH]ccc3c2)o1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
SRPK1 Q96SB4 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MYC P01106 1/20 0.42
CHRM2 P08172 1/20 0.41
ENPP2 Q13822 1/20 0.41
LDHA P00338 1/20 0.41
HDAC2 Q92769 1/20 0.40
MMP13 P45452 1/20 0.40
SUCNR1 Q9BXA5 1/20 0.39

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
SCHEMBL30501712 1.00 KDM4E (0.54) KDM4ECYP1A2CYP2C19PTGS2TAS1R3
SCHEMBL7126700 0.79 KDM4E (0.51) KDM4EPTGS2SRPK1ENPP2HDAC2
SCHEMBL23091182 0.78 ERN1 (0.55) KDM4ECYP1A2CYP2C19PTGS2SMN1; SMN2
SCHEMBL13088447 0.76 NFATC1 (0.48) KDM4ECYP1A2CYP2C19SRPK1SMN1; SMN2
SCHEMBL23091223 0.76 PDE4A (0.59) KDM4ECYP1A2CYP2C19SMN1; SMN2
SCHEMBL23091158 0.76 KDM4E (0.62) KDM4ECYP1A2CYP2C19SMN1; SMN2MMP13
SCHEMBL18551808 0.74 NPC1 (0.47) PTGS2
SCHEMBL23091202 0.74 MMP13 (0.60) KDM4ECYP1A2CYP2C19SMN1; SMN2MMP13
SCHEMBL23091209 0.74 KDM4E (0.57) KDM4ECYP1A2CYP2C19PTGS2SMN1; SMN2
SCHEMBL8514379 0.74 TAS1R3 (0.68) CYP1A2CYP2C19TAS1R3TAS1R1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3805210-B1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2023-11-29 EP claimed
CN-112004807-B Compounds and pharmaceutical compositions comprising the same 自体吞噬科学有限公司 2023-07-18 CN claimed
US-11407744-B2 Compound and pharmaceutical composition comprising same Autophagysciences Inc. (KR) 2022-08-09 US claimed
EP-3805210-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences, Inc (KR) 2021-04-14 EP claimed
US-20210078987-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences Inc. (KR) 2021-03-18 US claimed
EP-3805210-B1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AUTOPHAGYSCIENCES INC (KR) 2023-11-29 EP disclosed
CN-112004807-B Compounds and pharmaceutical compositions comprising the same 自体吞噬科学有限公司 2023-07-18 CN disclosed
US-11407744-B2 Compound and pharmaceutical composition comprising same Autophagysciences Inc. (KR) 2022-08-09 US disclosed
EP-3805210-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences, Inc (KR) 2021-04-14 EP disclosed
US-20210078987-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences Inc. (KR) 2021-03-18 US disclosed
US-20210078987-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Autophagysciences Inc. (KR) 2021-03-18 US disclosed
CN-112004807-A Novel compounds and pharmaceutical compositions comprising said compounds 自体吞噬科学有限公司 2020-11-27 CN 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-11407744-B2 Compound and pharmaceutical composition comprising same TFEB, ATG7, BECN1 KDM4E 3653/4885CYP1A2 4347/4885CYP2C19 4643/4885
US-20210078987-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TFEB, ATG7, BECN1 KDM4E 3445/4885CYP1A2 4544/4885CYP2C19 4772/4885

“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.