SCHEMBL30418142

SCHEMBL30418142

CCOC(=O)c1cc2cccc(NC(=O)C(C)Br)c2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
MMP13 P45452 5/20 0.46
HRH3 Q9Y5N1 1/20 0.46
POLB P06746 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP2 P08253 4/20 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
SCHEMBL31241639 0.91 CDK1 (0.47) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL25505250 0.91 CDK1 (0.47) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL30417387 0.90 CDK1 (0.47) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31241687 0.90 CDK1 (0.47) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL28469703 0.84 MMP13 (0.57) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31241890 0.82 CDK1 (0.48) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL30417336 0.82 CDK1 (0.48) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1654435 0.82 ALDH1A1 (0.56) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1651745 0.80 CDK1 (0.48) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL1653148 0.78 MMP2 (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; 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 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 KDM4E 172/4885ALDH1A1 273/4885HPGD 2711/4885

“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.