SCHEMBL12192591

SCHEMBL12192591

CC(C)c1cc(=O)nc(N)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
BLM P54132 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
BACE1 P56817 1/20 0.37
XDH P47989 5/20 0.36
DHFR P00374 1/20 0.36
SLC2A1 P11166 1/20 0.36
DAO P14920 1/20 0.35
PNP P00491 2/20 0.35
CYP1A2 P05177 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TSHR P16473 1/20 0.34
FABP6 P51161 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL24066325 0.78 TSHR (0.38) ALDH1A1DHFRSLC2A1DAOTRPV1
SCHEMBL20756712 0.78 GSK3B (0.41) MEN1ALDH1A1KMT2ADHFRSLC2A1
SCHEMBL1321755 0.76
SCHEMBL31231913 0.73 CYP3A4 (0.57) CYP3A4BLMMEN1ALDH1A1KMT2A
SCHEMBL24500022 0.73 PNP (0.43) MEN1ALDH1A1KMT2APNPTRPV1
SCHEMBL25899174 0.73 DHFR (0.38) CYP3A4BLMMEN1ALDH1A1KMT2A
SCHEMBL24538722 0.73 PNP (0.38) CYP3A4BLMMEN1ALDH1A1KMT2A
SCHEMBL908315 0.72
SCHEMBL12192595 0.72 KDM4E (0.40) CYP3A4BLMBACE1XDHDHFR
SCHEMBL32678515 0.71 CYP3A4 (0.42) CYP3A4MEN1KMT2ACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO disclosed
US-9006364-B2 Supramolecular polymers from low-melting, easily processable building blocks SUPRAPOLIX B.V. (NL) 2015-04-14 US disclosed
US-9006364-B2 Supramolecular polymers from low-melting, easily processable building blocks SUPRAPOLIX B.V. (NL) 2015-04-14 US disclosed
US-20140142256-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2014-05-22 US disclosed
US-20140142256-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2014-05-22 US disclosed
EP-2087027-B1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX BV (NL) 2011-10-05 EP disclosed
US-20100076147-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2010-03-25 US disclosed
US-20100076147-A1 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2010-03-25 US disclosed
WO-2008063057-A2 SUPRAMOLECULAR POLYMERS FROM LOW-MELTING, EASILY PROCESSABLE BUILDING BLOCKS SUPRAPOLIX B.V. (NL) 2008-05-29 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-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 CYP3A4 4879/4885BLM 1606/4885MEN1 2652/4885

“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.