SCHEMBL17157424

SCHEMBL17157424

COc1ncncc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.39
▸ GPBAR1 Q8TDU6 2/20 0.36
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP17A1 P05093 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 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
SCHEMBL30509874 0.83 NNMT (0.45) TDP1POLBGPBAR1MAP3K5SIRT6
SCHEMBL3518155 0.83 KDM4E (0.42) TDP1GPBAR1MAP3K5LMNACYP17A1
SCHEMBL31582882 0.83 NNMT (0.45) TDP1POLBGPBAR1MAP3K5SIRT6
SCHEMBL27185528 0.81 KMT2A (0.42) HCAR2GPBAR1LMNAGABRPGABRD
SCHEMBL30421542 0.81 KMT2A (0.42) HCAR2GPBAR1LMNAGABRPGABRD
SCHEMBL17157430 0.78 GPBAR1 (0.43) GPBAR1MAP3K5CYP17A1KDM4EALDH1A1
SCHEMBL18033428 0.76 PRSS1 (0.33) GPBAR1MAP3K5CYP17A1SIRT6
SCHEMBL24729209 0.74 L3MBTL1 (0.52) TDP1POLBLMNAKMT2AMEN1
SCHEMBL27906709 0.74 CASP3 (0.44) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL29364820 0.74 HPGD (0.47) TDP1HCAR2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4642450-A2 EP2 ANTAGONIST COMPOUNDS Reservoir Neuroscience, Inc. (US) 2025-11-05 — — EP disclosed
EP-3562306-B1 METALLOENZYME INHIBITOR COMPOUNDS JI XING PHARMACEUTICALS HONG KONG LTD (HK) 2025-02-26 — — EP disclosed
US-20240246952-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2024-07-25 — — US disclosed
WO-2024145259-A2 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2024-07-04 — — WO disclosed
US-20240109899-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-04 — — US disclosed
CN-117751114-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-22 — — CN disclosed
EP-4329880-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 — — EP disclosed
US-11919883-B2 Metalloenzyme inhibitor compounds JI XING PHARMACEUTICALS HONG KONG LIMITED (HK) 2024-03-05 — — US disclosed
CN-109956929-B Heterocyclic derivative, preparation method, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2023-09-19 — — CN disclosed
EP-3600312-B1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2023-05-17 — — EP disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
EP-3131399-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES Dow AgroSciences LLC (US) 2017-02-22 — — EP disclosed
CN-106231901-A Metal enzyme inhibitor compound as antifungal 美国陶氏益农公司 2016-12-14 — — CN disclosed
WO-2015160665-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 — — WO disclosed
WO-2015160665-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 — — WO disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — 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 (4 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-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM TDP1 1526/4885POLB 3948/4885HCAR2 4224/4885
US-20240109899-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS STING1, MAVS, IRF3 TDP1 262/4885POLB 1220/4885HCAR2 1189/4885
US-20240246952-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 TDP1 483/4885POLB 1535/4885HCAR2 2641/4885
US-11919883-B2 Metalloenzyme inhibitor compounds SOD1, RNASE1, FECH TDP1 1270/4885POLB 1401/4885HCAR2 4401/4885

“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.

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