SCHEMBL5368308

SCHEMBL5368308

CC(C)(C)c1cc(C#N)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
ALOX15 P16050 4/20 0.57
HSD17B10 Q99714 2/20 0.57
LMNA P02545 2/20 0.57
NR1I2 O75469 1/20 0.57
CYP2C9 P11712 1/20 0.57
MIF P14174 1/20 0.57
TYR P14679 1/20 0.57
HTT P42858 1/20 0.57
NFE2L2 Q16236 1/20 0.57
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
ATP2A2 P16615 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ATP2A3 Q93084 1/20 0.50
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.45
KIF11 P52732 1/20 0.44
CA12 O43570 1/20 0.43

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
SCHEMBL29437966 1.00 ALDH1A1 (0.57) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL18587383 0.86 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL11376800 0.86 L3MBTL1 (0.45) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL8388812 0.84 KDM1A (0.42) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL23873019 0.83 KIF11 (0.47) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL11216770 0.81 TRPV4 (0.38) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL2154684 0.81 KIF11 (0.45) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL7120216 0.80 P4HB (0.38) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL6888576 0.79 MEN1 (0.50) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL29397303 0.79 KIF11 (0.44) ALDH1A1CYP1A2KIF11TRPV4CYP2A6

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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947365-B1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LTD (AU) 2025-10-01 EP disclosed
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof BIONOMICS LIMITED (AU) 2024-11-12 US disclosed
US-12090146-B2 Substituted-pyridinyl compounds and uses thereof BIONOMICS LIMITED (AU) 2024-09-17 US disclosed
EP-3853216-B1 3-[2-(PHENOXY)-4-PYRIDYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DYSFUNCTION AND CNS DISORDERS BIONOMICS LTD (AU) 2024-09-11 EP disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-4139306-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2023-03-01 EP disclosed
US-11583527-B2 Hydantoin derivatives useful as Kv3 inhibitors AUTIFONY THERAPEUTICS LIMITED (GB) 2023-02-21 US disclosed
CN-115380032-A KV3 enhancers for the treatment of cognitive disorders 豪夫迈·罗氏有限公司 2022-11-22 CN disclosed
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
CN-103328467-A Hydantoin derivatives useful as KV3 inhibitors AUTIFONY THERAPEUTICS LTD 2013-09-25 CN disclosed
US-20120289526-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2012-11-15 US disclosed
US-20120289526-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2012-11-15 US disclosed
US-20120289526-A1 IMIDAZOLIDINEDIONE DERIVATIVES AUTIFONY THERAPEUTICS LIMITED (GB) 2012-11-15 US disclosed
WO-2012076877-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-06-14 WO disclosed
WO-2012076877-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-06-14 WO disclosed
WO-2011069951-A1 IMIDAZOLIDINEDIONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2011-06-16 WO disclosed
US-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 US disclosed
WO-2005023762-A1 PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2005-03-17 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 (8 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-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 ALDH1A1 2289/4885ALOX15 2369/4885HSD17B10 621/4885
US-11583527-B2 Hydantoin derivatives useful as Kv3 inhibitors KCNN3, KCND3, KCNA3 ALDH1A1 1966/4885ALOX15 4158/4885HSD17B10 2069/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 ALDH1A1 131/4885ALOX15 3210/4885HSD17B10 2500/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS ALDH1A1 2917/4885ALOX15 4571/4885HSD17B10 3449/4885
US-12090146-B2 Substituted-pyridinyl compounds and uses thereof GABRE, GAP43, GRIN2A ALDH1A1 3695/4885ALOX15 4155/4885HSD17B10 4334/4885
US-12139473-B2 Substituted-N-heteroaryl compounds and uses thereof SCN3A, KCND3, GRIN3A ALDH1A1 4707/4885ALOX15 4351/4885HSD17B10 3360/4885
US-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS KCNN3, KCNA4, KCNA3 ALDH1A1 2760/4885ALOX15 3408/4885HSD17B10 2534/4885
US-20120289526-A1 IMIDAZOLIDINEDIONE DERIVATIVES KCND3, KCNK3, KCNA3 ALDH1A1 462/4885ALOX15 4155/4885HSD17B10 1973/4885

“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.