SCHEMBL8429484

SCHEMBL8429484

CCc1ccc(-c2nnc(C)o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
NPC1 O15118 9/20 0.46
RAB9A P51151 9/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 2/20 0.46
ADCY1 Q08828 1/20 0.46
TP53 P04637 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KMT2A Q03164 2/20 0.44
ALOX12 P18054 1/20 0.44
AOC3 Q16853 2/20 0.43
LMNA P02545 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
SCHEMBL10062469 0.88 NOTUM (0.55) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14804393 0.85 NPC1 (0.56) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12844628 0.85 MAPT (0.47) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9060124 0.83 GPR84 (0.47) NOTUMNPC1RAB9ASMN1; SMN2TP53
SCHEMBL19948855 0.83 GPR84 (0.43) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL25975967 0.83 AOC3 (0.49) NOTUMNPC1RAB9ASMN1; SMN2TP53
SCHEMBL13592787 0.82 HSD11B1 (0.50) NPC1RAB9ASMN1; SMN2MAPTTP53
Hydrochloric Acid SCHEMBL25430361 0.81 AOC3 (0.48) NOTUMNPC1RAB9ASMN1; SMN2TP53
SCHEMBL762899 0.81 NPC1 (0.65) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8246436 0.80 KDM4E (0.42) NOTUMNPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024141925-A1 COMPOSITIONS FOR PREVENTING AND TREATING RENAL FAILURE (RF) CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 WO disclosed
WO-2023144737-A1 COMPOSITIONS FOR PREVENTING OR TREATING HEART FAILURE (HF) CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-03 WO disclosed
WO-2023144736-A1 COMPOSITIONS FOR PREVENTING OR TREATING PULMONARY ARTERIAL HYPERTENSION CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-03 WO disclosed
WO-2023031775-A1 COMPOSITIONS FOR PREVENTING OR TREATING CHARCOT-MARIE-TOOTH DISEASE (CMT) CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-03-09 WO disclosed
US-20220133711-A1 CAMPTOTHECIN DERIVATIVES IMMUNOGEN, INC. 2022-05-05 US disclosed
US-20210347772-A1 AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-11 US disclosed
WO-2020081689-A1 AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 WO disclosed
EP-2861649-B1 SULFONATED NAPHTHALENE POLYOXADIAZOLE POLYMERS DU PONT (US) 2019-07-24 EP disclosed
WO-2017018803-A1 1,3,4-OXADIAZOLE SULFONAMIDE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-02-02 WO disclosed
WO-2016034673-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 WO disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 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 (5 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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 NOTUM 3982/4885NPC1 912/4885RAB9A 2247/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 NOTUM 2412/4885NPC1 1789/4885RAB9A 1585/4885
US-20220133711-A1 CAMPTOTHECIN DERIVATIVES TOP2A, TOP2B, PCNA NOTUM 4058/4885NPC1 1349/4885RAB9A 911/4885
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 NOTUM 2003/4885NPC1 858/4885RAB9A 1826/4885
US-20210347772-A1 AZAINDOLE INHIBITORS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 LRRK2, PARK7, GDI2 NOTUM 3570/4885NPC1 1367/4885RAB9A 94/4885

“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.