Sugi Predict

Sugi Predict / Compounds / SCHEMBL325284

SCHEMBL325284

SCHEMBL325284

CN(C)/C=C/C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.68
▸ CYP1A2 P05177 2/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ MAPT P10636 5/20 0.62
▸ RAB9A P51151 5/20 0.62
▸ LMNA P02545 3/20 0.62
▸ RECQL P46063 2/20 0.62
▸ HPGD P15428 2/20 0.62
▸ HTT P42858 1/20 0.62
▸ ALOX12 P18054 1/20 0.62
▸ GAA P10253 1/20 0.61
▸ CYP1A1 P04798 4/20 0.56
▸ CYP1B1 Q16678 4/20 0.56
▸ NPC1 O15118 3/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MAOB P27338 1/20 0.55
▸ POLB P06746 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ P4HB P07237 1/20 0.54
▸ MEN1 O00255 1/20 0.54

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
SCHEMBL325285 1.00 ALDH1A1 (0.68) ALDH1A1CYP1A2CYP2C19MAPTRAB9A
SCHEMBL23251385 0.85 MAPT (0.81) ALDH1A1CYP1A2CYP2C19MAPTRAB9A
SCHEMBL9526011 0.84 MAPT (0.64) ALDH1A1CYP1A2CYP2C19MAPTRAB9A
SCHEMBL9526008 0.84 MAPT (0.64) ALDH1A1CYP1A2CYP2C19MAPTRAB9A
SCHEMBL19281407 0.83 ALDH1A1 (0.72) ALDH1A1CYP1A2CYP2C19MAPTRAB9A
SCHEMBL99941 0.81 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C19MAPTRAB9A
SCHEMBL99942 0.81 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C19MAPTRAB9A
SCHEMBL3563640 0.80 CYP1A1 (0.61) CYP1A1CYP1B1MAOBP4HB
SCHEMBL3563636 0.80 CYP1A1 (0.61) CYP1A1CYP1B1MAOBP4HB
SCHEMBL24119203 0.80 CYP1A2 (1.00) ALDH1A1CYP1A2CYP2C19MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285450-A Preparation method of 1-hydroxy-2-naphthaldehyde derivative 西北工业大学 2025-01-10 — — CN claimed
CN-119019332-A 1, 5-Disubstituted-4-bromopyrazole compound and preparation method and application thereof 赣南师范大学 2024-11-26 — — CN claimed
CN-119285450-A Preparation method of 1-hydroxy-2-naphthaldehyde derivative 西北工业大学 2025-01-10 — — CN disclosed
CN-119019332-A 1, 5-Disubstituted-4-bromopyrazole compound and preparation method and application thereof 赣南师范大学 2024-11-26 — — CN disclosed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 — — US disclosed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 — — US disclosed
US-9750719-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2017-09-05 — — US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 — — US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 — — US disclosed
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Convergence Pharmaceuticals Limited (GB) 2016-01-21 — — US disclosed
US-9115132-B2 Tetrazole compounds as calcium channel blockers Convergence Pharmaceuticals Limited (GB) 2015-08-25 — — US disclosed
EP-2004638-A1 ANILINO-PYRIMIDINE PHENYL AND BENZOTHIOPHENE ANALOGS Wyeth a Corporation of the State of Delaware (US) 2008-12-24 — — EP disclosed
US-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-09-04 — — US disclosed
US-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-09-04 — — US disclosed
WO-2007120593-A1 ANILINO-PYRIMIDINE PHENYL AND BENZOTHIOPHENE ANALOGS WYETH (US) 2007-10-25 — — WO disclosed
US-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs WYETH (US) 2007-10-18 — — US disclosed
EP-1799652-A1 N-BENZENESULFONYL SUBSTITUTED ANILINO-PYRIMIDINE ANALOGS Wyeth (US) 2007-06-27 — — EP disclosed
WO-2007028132-A2 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 — — WO disclosed
WO-2006044457-A1 N-BENZENESULFONYL SUBSTITUTED ANILINO-PYRIMIDINE ANALOGS WYETH (US) 2006-04-27 — — WO disclosed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 — — 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-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR3B, HTR1A ALDH1A1 407/4885CYP1A2 216/4885CYP2C19 173/4885
US-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs HPRT1, APRT, NUDT1 ALDH1A1 793/4885CYP1A2 255/4885CYP2C19 179/4885
US-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 ALDH1A1 1072/4885CYP1A2 733/4885CYP2C19 545/4885
US-20160015687-A1 TETRAZOLE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1I, CACNB2 ALDH1A1 2584/4885CYP1A2 654/4885CYP2C19 1661/4885

“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.