SCHEMBL22780396

SCHEMBL22780396

COC(=O)Cc1c(-c2ccccc2)nnn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TP53 P04637 2/20 0.46
ALDH1A1 P00352 4/20 0.46
DHODH Q02127 1/20 0.44
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
LPAR1 Q92633 1/20 0.43
TSHR P16473 2/20 0.42
FAAH O00519 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL22769607 0.85 NPC1 (0.48) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL28345333 0.84 NPC1 (0.53) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL28344778 0.76 NPC1 (0.51) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL11240983 0.75 KMT2A (0.52) KMT2AMEN1L3MBTL1SMN1; SMN2TP53
SCHEMBL22769608 0.75 NPC1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL28342182 0.74 IDO1 (0.48) KMT2AMEN1L3MBTL1SMN1; SMN2NPC1
SCHEMBL11726689 0.74 KMT2A (0.54) KMT2AMEN1L3MBTL1SMN1; SMN2NPC1
SCHEMBL18529892 0.73 NPC1 (0.57) KMT2AMEN1L3MBTL1SMN1; SMN2NPC1
SCHEMBL22780224 0.71 MPO (0.52) KMT2AL3MBTL1SMN1; SMN2ALDH1A1GAA
SCHEMBL13341900 0.70 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230122243-A1 Heteroaromatic inhibitors of astacin proteinases VIVORYON THERAPEUTICS N.V. (DE) 2023-04-20 US disclosed
WO-2020249760-A1 HETEROAROMATIC INHIBITORS OF ASTACIN PROTEINASES VIVORYON THERAPEUTICS AG (DE) 2020-12-17 WO disclosed
EP-3750878-A1 HETEROAROMATIC INHIBITORS OF ASTACIN PROTEINASES Vivoryon Therapeutics AG (DE) 2020-12-16 EP 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-20230122243-A1 Heteroaromatic inhibitors of astacin proteinases BMP1, DPEP1, MEP1A KMT2A 3732/4885MEN1 2201/4885L3MBTL1 1757/4885

“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.