SCHEMBL25525485

SCHEMBL25525485

CCCNOC(=O)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.51
CYP2C19 P33261 2/20 0.49
EPHX2 P34913 1/20 0.49
CYP3A4 P08684 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
PPID Q08752 1/20 0.47
CYP2C9 P11712 1/20 0.46
EPHX1 P07099 1/20 0.46
LMNA P02545 1/20 0.46
CYP2D6 P10635 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL25525468 0.87 RIPK1 (0.54) RIPK1CYP2C19EPHX2CYP3A4L3MBTL1
SCHEMBL28303244 0.80 RIPK1 (0.50) RIPK1CYP2C19EPHX2CYP3A4L3MBTL1
SCHEMBL25518193 0.80 ALDH1A1 (0.53) RIPK1CYP2C19ALDH1A1NPC1RAB9A
SCHEMBL1720194 0.77 ALDH1A1 (0.67) RIPK1CYP2C19L3MBTL1ALDH1A1NPC1
SCHEMBL7422332 0.77 HDAC1 (0.55) RIPK1CYP2C19EPHX2CYP3A4L3MBTL1
Benzene SCHEMBL8878788 0.76 PPID (0.64) CYP2C19ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL423344 0.76 PPID (0.64) CYP2C19ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL1134902 0.76 EPHX1 (0.71) RIPK1CYP2C19EPHX2CYP3A4L3MBTL1
SCHEMBL25518194 0.75 KMT2A (0.53) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL25525471 0.75 MAPT (0.49) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-05-25 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 (1 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-20230159569-A1 DUAL HDAC6/PROTEASOME INHIBITORS, AND METHODS OF USE THEREOF HDAC6, PSMG3, PSMB2 RIPK1 1927/4885CYP2C19 4808/4885EPHX2 3167/4885

“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.