SCHEMBL6168375

SCHEMBL6168375

CC(=O)N1C=Cc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.49
NOTUM Q6P988 7/20 0.48
HDAC3 O15379 1/20 0.43
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NAMPT P43490 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL27872842 0.84 HDAC3 (0.43) HSD17B3NOTUMHDAC3MEN1MAPT
SCHEMBL29950507 0.84 HDAC3 (0.43) HSD17B3NOTUMHDAC3MEN1MAPT
SCHEMBL304994 0.84 HDAC3 (0.43) HSD17B3NOTUMHDAC3MEN1MAPT
SCHEMBL305168 0.82 HDAC3 (0.43) HSD17B3NOTUMHDAC3MEN1MAPT
SCHEMBL4425411 0.82 HDAC3 (0.43) HSD17B3NOTUMHDAC3MEN1MAPT
Hydrochloric Acid SCHEMBL7007436 0.82 HDAC3 (0.43) HSD17B3NOTUMHDAC3MEN1MAPT
SCHEMBL30014867 0.82 HDAC3 (0.43) HSD17B3NOTUMHDAC3MEN1MAPT
SCHEMBL29493257 0.82 HDAC3 (0.43) HSD17B3NOTUMHDAC3MEN1MAPT
SCHEMBL4553385 0.81 MEN1 (0.45) HSD17B3NOTUMHDAC3MEN1KMT2A
SCHEMBL4553750 0.81 HTT (0.47) HSD17B3NOTUMHDAC3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532141-A1 2-PYRROLIDIN-2-YL- 1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS Grünenthal GmbH (DE) 2005-05-25 EP claimed
WO-2004024725-A1 2-PYRROLIDIN-2-YL-[1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS Grünenthal GmbH (DE) 2004-03-25 WO claimed
US-20230322815-A1 NOVEL COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITY OF HUDDERSFIELD (GB) 2023-10-12 US disclosed
EP-4196226-A1 NOVEL COMPOUNDS AND THERAPEUTIC USES THEREOF University Of Huddersfield (GB) 2023-06-21 EP disclosed
WO-2022034313-A1 NOVEL COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITY OF HUDDERSFIELD (GB) 2022-02-17 WO disclosed
CN-102417523-B Preparation and catalytic application of nitrogen heterocyclic ligand transition metal complex ZHONGSHAN ENANTIOTECH Corp.,Ltd. (CN) 2014-10-08 CN disclosed
US-8779134-B1 Six-coordinated ruthenium complex NATIONAL TSING HUA UNIVERSITY (TW) 2014-07-15 US disclosed
CN-102417523-A Nitrogen heterocyclic ligand transition metal complex, preparation and catalytic application thereof ZHONGSHAN YIANTAI MEDICAL TECHNOLOGY CO LTD 2012-04-18 CN disclosed
EP-1532141-A1 2-PYRROLIDIN-2-YL- 1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS Grünenthal GmbH (DE) 2005-05-25 EP disclosed
WO-2004024725-A1 2-PYRROLIDIN-2-YL-[1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS Grünenthal GmbH (DE) 2004-03-25 WO disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 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-20230322815-A1 NOVEL COMPOUNDS AND THERAPEUTIC USES THEREOF BRCA1, TPX2, XPA HSD17B3 2306/4885NOTUM 4794/4885HDAC3 3412/4885

“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.