SCHEMBL13100925

SCHEMBL13100925

CC(C)C(=O)c1ccnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
CYP1A2 P05177 1/20 0.44
PREP P48147 3/20 0.44
FAP Q12884 1/20 0.44
NCF1 P14598 1/20 0.43
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 1/20 0.42
NPC1 O15118 1/20 0.42
ESR1 P03372 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
PTK2B Q14289 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.41
USP5 P45974 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CCR1 P32246 1/20 0.41

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
SCHEMBL28540686 0.88 NSD2 (0.44) NSD2CYP1A2PREPFAPNCF1
SCHEMBL28535856 0.87 KMT2A (0.49) NSD2CYP1A2PREPFAPNCF1
SCHEMBL28530340 0.84 NSD2 (0.42) NSD2PREPFAPNCF1PTPN1
SCHEMBL28540688 0.84 NSD2 (0.45) NSD2LOXL2CYP1A2PREPFAP
SCHEMBL28535313 0.83 PREP (0.46) NSD2PREPFAPMEN1KMT2A
SCHEMBL827639 0.80 MEN1 (0.47) NSD2LOXL2CYP1A2NCF1PTPN1
SCHEMBL23193358 0.80 NCF1 (0.50) NSD2LOXL2CYP1A2NCF1PTPN1
SCHEMBL6824375 0.79 ALDH1A1 (0.47) CYP1A2PREPFAPNPC1RAB9A
SCHEMBL228713 0.78 KDM4E (0.56) NSD2CYP1A2NCF1NPC1ESR1
SCHEMBL29375172 0.78 KDM4E (0.56) NSD2CYP1A2NCF1NPC1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024008833-A1 PRODRUG KIT FOR MULTI-PRONGED CHEMOTHERAPY ZOUNEK ALEX (DE) 2024-01-11 WO disclosed
CN-109467549-B Quinoline-substituted chalcone compound, preparation method and application thereof 中国药科大学 2021-02-09 CN disclosed
US-10711036-B2 MALT1 inhibitors and uses thereof CORNELL UNIVERSITY (US) 2020-07-14 US disclosed
WO-2019016269-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2019-01-24 WO disclosed
US-8530646-B2 Oxazolidinone derivative having 7-membered hetero ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-09-10 US disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 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 (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-10711036-B2 MALT1 inhibitors and uses thereof MALT1, BCL3, BCL6 NSD2 3183/4885LOXL2 2185/4885CYP1A2 1322/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 NSD2 2675/4885LOXL2 3917/4885CYP1A2 596/4885
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING NR0B2, NR0B1, NR2C2 NSD2 1094/4885LOXL2 2114/4885CYP1A2 453/4885

“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.