SCHEMBL21066543

SCHEMBL21066543

COc1ccc(CNC(CNC(=O)O)C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASR P41180 1/20 0.44
PKM P14618 1/20 0.44
LDHA P00338 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL21066516 0.84 ALDH1A1 (0.46) RAB9AKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL22028845 0.82 ALDH1A1 (0.50) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL1695235 0.77 NPC1 (0.66) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL18076414 0.75 KMT2A (0.55) NPC1KMT2AMEN1
SCHEMBL21066510 0.74 CNR2 (0.39) EPHX2NR1H4HPGDSMN1; SMN2CASR
SCHEMBL3357892 0.74 CASR (0.54) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL21066552 0.74 MASP2 (0.47) KMT2AMEN1
SCHEMBL11729314 0.73 NPC1 (0.50) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL7419905 0.72 LDHA (0.50) NPC1RAB9AKMT2AMEN1EPHX2
SCHEMBL29036587 0.72 LDHA (0.50) NPC1RAB9AKMT2AMEN1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4257192-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2023-10-11 EP disclosed
EP-3505513-B1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS IND TECH RES INST (TW) 2023-09-27 EP disclosed
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-06-30 US disclosed
EP-3505513-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2019-07-03 EP disclosed
US-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-06-27 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 (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-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRK4, NCOA4, GRK3 NPC1 1605/4885RAB9A 4296/4885KMT2A 1680/4885
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same GRK4, NCOA4, GRK3 NPC1 1605/4885RAB9A 4296/4885KMT2A 1680/4885

“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.