SCHEMBL30418263

SCHEMBL30418263

COC(=O)c1cc2ccc3c(c2[nH]1)NCC3

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.44
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.38
ALPL P05186 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
MAPK1 P28482 1/20 0.35
ABL1 P00519 3/20 0.34
SRC P12931 2/20 0.34
SYK P43405 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL25508045 1.00 XDH (0.44) XDHGLAGAACYP1A2ALPL
SCHEMBL888365 0.78 CYP1A2 (0.41) XDHGLAGAACYP1A2MAPK1
SCHEMBL25507489 0.78 XDH (0.44) XDHGLAGAACYP1A2ALPL
SCHEMBL20504460 0.70 XDH (0.47) XDHGLAGAACYP1A2ALPL
SCHEMBL25508042 0.70 XDH (0.49) XDHGLAGAACYP1A2ALPL
SCHEMBL8985899 0.70 ALDH1A1 (0.67) XDHGLAGAAALPLMAPK1
SCHEMBL30418792 0.70 XDH (0.49) XDHGLAGAACYP1A2ALPL
SCHEMBL4822348 0.69 XDH (0.43) XDHGLAGAACYP1A2ALPL
SCHEMBL4827008 0.69 XDH (0.43) XDHGLAGAACYP1A2ALPL
SCHEMBL3283667 0.68 NSD2 (0.61) XDHGLAGAAHRH4ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136607-A1 PAD4 INHIBITORS AND USE THEREOF REGOR PHARMACEUTICALS, INC. 2025-05-01 US disclosed
EP-4433477-A1 PAD4 INHIBITORS AND USE THEREOF Regor Pharmaceuticals, Inc. (US) 2024-09-25 EP disclosed
CN-118679162-A PAD4 inhibitors and uses thereof 锐格药业公司 2024-09-20 CN disclosed
WO-2023083365-A1 PAD4 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-05-19 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 (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-20250136607-A1 PAD4 INHIBITORS AND USE THEREOF PADI4, PADI6, PADI2 XDH 90/4885GLA 3211/4885GAA 804/4885

“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.