Sugi Predict

Sugi Predict / Compounds / SCHEMBL3554749

SCHEMBL3554749

SCHEMBL3554749

CC(=O)Nc1ccc(F)c(C#N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.63
▸ GRM4 Q14833 1/20 0.58
▸ BLM P54132 1/20 0.49
▸ WRN Q14191 1/20 0.49
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ PLA2G7 Q13093 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ EGLN2 Q96KS0 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ TNNI3 P19429 1/20 0.44
▸ TNNT2 P45379 1/20 0.44

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
SCHEMBL7057932 0.87 ALDH1A1 (0.63) ALDH1A1GRM4KMT2AMEN1PLA2G7
SCHEMBL4900667 0.85 GRM4 (0.59) ALDH1A1GRM4BLMWRNRAB9A
SCHEMBL8351343 0.84 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1MAPTPLA2G7
SCHEMBL29824380 0.84 GRM4 (0.56) ALDH1A1GRM4BLMWRNKMT2A
SCHEMBL3008351 0.84 GRM4 (0.56) ALDH1A1GRM4BLMWRNMAPT
SCHEMBL24061321 0.83 TSHR (0.61) ALDH1A1GRM4BLMWRNKMT2A
SCHEMBL7754593 0.81 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1MAPTPLA2G7
SCHEMBL22078587 0.81 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1MAPTPLA2G7
SCHEMBL16127874 0.81 GRM4 (0.63) ALDH1A1GRM4KMT2AMEN1MAPT
SCHEMBL12777490 0.81 GRM4 (0.56) ALDH1A1GRM4BLMWRNSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270729-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTIAN OCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2023-08-31 — — US disclosed
US-20230257351-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2023-08-17 — — US disclosed
EP-4172146-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY Bayer Aktiengesellschaft (DE) 2023-05-03 — — EP disclosed
EP-4171744-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTAIN OCULAR DISORDERS Bayer Aktiengesellschaft (DE) 2023-05-03 — — EP disclosed
WO-2021058002-A1 CRYSTALLINE FORM OF CAPSID PROTEIN ASSEMBLY INHIBITOR CONTAINING N HETERO FIVE-MEMBERED RING, AND APPLICATION THEREOF 正大天晴药业集团股份有限公司 2021-04-01 — — WO disclosed
EP-3778569-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-02-17 — — EP disclosed
WO-2019185016-A1 N-HETEROCYCLIC FIVE-MEMBERED RING-CONTAINING CAPSID PROTEIN ASSEMBLY INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 正大天晴药业集团股份有限公司 2019-10-03 — — WO disclosed
US-7645776-B2 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia HOFFMANN-LA ROCHE INC. (US) 2010-01-12 — — US disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 — — EP disclosed
EP-1959951-A1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS F. Hoffmann-la Roche AG (CH) 2008-08-27 — — EP disclosed
WO-2007063012-A1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 — — WO disclosed
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 — — 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-20230257351-A1 SUBSTITUTED N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY P2RX2, P2RX5, P2RX3 ALDH1A1 882/4885GRM4 974/4885BLM 1120/4885
US-20230270729-A1 USE OF N-PHENYLACETAMIDES HAVING P2X4 RECEPTOR ANTAGONISTIC ACTIVITY FOR TREATING CERTIAN OCULAR DISORDERS P2RX2, P2RX4, P2RX5 ALDH1A1 2885/4885GRM4 1909/4885BLM 4122/4885
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia CPT1A, CPT1B, CPT2 ALDH1A1 104/4885GRM4 2440/4885BLM 4880/4885

“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.