SCHEMBL20028055

SCHEMBL20028055

COC(=O)C(Nc1nc2ccccc2[nH]1)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
CYP3A4 P08684 1/20 0.52
RAB9A P51151 12/20 0.52
NPC1 O15118 11/20 0.52
PKM P14618 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HSP90AA1 P07900 1/20 0.52
PAX8 Q06710 1/20 0.52
SMN1; SMN2 Q16637 7/20 0.51
MAPT P10636 4/20 0.51
MAOB P27338 1/20 0.50
ADORA2A P29274 1/20 0.50
KLF5 Q13887 2/20 0.49
TP53 P04637 2/20 0.49
USP2 O75604 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
OPRK1 P41145 1/20 0.49
HSD17B10 Q99714 2/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL8779899 0.77 LMNA (0.59) LMNACYP3A4RAB9ANPC1PKM
SCHEMBL8779893 0.77 LMNA (0.59) LMNACYP3A4RAB9ANPC1PKM
SCHEMBL8779898 0.77 LMNA (0.59) LMNACYP3A4RAB9ANPC1PKM
Carbendazim SCHEMBL8427009 0.76 LMNA (0.71) LMNACYP3A4RAB9ANPC1PKM
Carbendazim SCHEMBL29357746 0.76 LMNA (0.71) LMNACYP3A4RAB9ANPC1PKM
Carbendazim SCHEMBL21051 0.76 LMNA (0.71) LMNACYP3A4RAB9ANPC1PKM
SCHEMBL11989038 0.75 ALDH1A1 (0.61) LMNACYP3A4RAB9ANPC1MEN1
Carbendazim SCHEMBL74664 0.75 LMNA (0.69) LMNACYP3A4RAB9ANPC1PKM
Carbendazim SCHEMBL11360169 0.75 LMNA (0.69) LMNACYP3A4RAB9ANPC1PKM
Carbendazim SCHEMBL8716640 0.75 LMNA (0.69) LMNACYP3A4RAB9ANPC1PKM

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-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 LMNA 1415/4885CYP3A4 4746/4885RAB9A 2461/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 LMNA 1105/4885CYP3A4 4398/4885RAB9A 2055/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 LMNA 1415/4885CYP3A4 4746/4885RAB9A 2461/4885

“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.