Sugi Predict

Sugi Predict / Compounds / SCHEMBL698333

SCHEMBL698333

SCHEMBL698333

COC(=O)CC(C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP3A4 P08684 1/20 0.48
▸ KCNA5 P22460 1/20 0.44
▸ CPA1 P15085 3/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40

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
SCHEMBL29921355 1.00 ALDH1A1 (0.51) ALDH1A1CYP3A4KCNA5CPA1KMT2A
SCHEMBL10642651 0.87 ALDH1A1 (0.43) ALDH1A1CYP3A4NPC1MAPTHPGD
SCHEMBL29280419 0.85 ALDH1A1 (0.40) ALDH1A1CYP3A4MAPTHPGD
SCHEMBL10640688 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4KMT2AMAPTHPGD
SCHEMBL10637253 0.85 ALDH1A1 (0.43) ALDH1A1CYP3A4KMT2AMAPTHPGD
SCHEMBL19190383 0.85 ALDH1A1 (0.50) ALDH1A1CYP3A4KMT2AMAPTHPGD
SCHEMBL9294262 0.85 F2 (0.50) ALDH1A1CYP3A4CPA1KMT2ANPC1
SCHEMBL7432355 0.85 MAOB (0.50) ALDH1A1KMT2ANPC1
SCHEMBL7680353 0.85 F2 (0.42) ALDH1A1CYP3A4KMT2AHPGD
SCHEMBL9409568 0.84 F2 (0.43) ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107188808-A A kind of synthetic method of the phenylbutyric acid hydrochloride of 4 amino 3 江苏斯威森生物医药工程研究中心有限公司 2017-09-22 — — CN claimed
CN-107188808-A A kind of synthetic method of the phenylbutyric acid hydrochloride of 4 amino 3 江苏斯威森生物医药工程研究中心有限公司 2017-09-22 — — CN disclosed
CN-103232356-B Technology for preparing 3-phenyl-4-aminobutyric acid hydrochloride 天津金族科技有限公司 2017-02-15 — — CN disclosed
CN-105153006-A Synthetic method for 4-phenyl-2-pyrrolidone CHANGZHOU QIANGDA BAOCHENG CHEMICAL ENGINEERING CO LTD 2015-12-16 — — CN disclosed
CN-103408480-A 4-phenyl-pyrrolidone synthesis process ZHANGJIAGANG WEISHENG BIOLOG PHARMACEUTICAL CO LTD 2013-11-27 — — CN disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 — — US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 — — US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 — — US disclosed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 — — EP disclosed
EP-2423207-A2 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 — — EP disclosed
EP-2001863-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2008-12-17 — — EP disclosed
US-20070270436-A1 NOVEL AMINO- AND IMINO-ALKYLPIPERAZINES RECORDATI IRELAND LIMITED (IE) 2007-11-22 — — US disclosed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 — — WO disclosed
WO-2007119463-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES AS TPK1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-10-25 — — WO disclosed
EP-0164852-B1 1-(SUBSTITUTED-ARYL)-DIHYDRO-1H-PYRROLIZINE-3,5-(2H,6H-)DIONES, A PROCESS FOR PRODUCING THE COMPOUNDS AND A PHARMACEUTICAL COMPOSITION COMPRISING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1988-07-06 — — EP disclosed
EP-0164853-B1 (SUBSTITUTED-PHENYL)-5-OXO-2-PYRROLIDINEPROPANOIC ACIDS, A PROCESS FOR PRODUCING THE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1988-07-06 — — EP disclosed
US-4584313-A TREATING SENILITY WARNER-LAMBERT COMPANY (US) 1986-04-22 — — US disclosed
EP-0164853-A1 (substituted-phenyl)-5-oxo-2-pyrrolidinepropanoic acids, a process for producing the compounds and pharmaceutical compositions comprising the compounds WARNER-LAMBERT COMPANY (US) 1985-12-18 — — EP disclosed
EP-0164852-A1 1-(Substituted-aryl)-Dihydro-1H-pyrrolizine-3,5-(2H,6H-)diones, a process for producing the compounds and a pharmaceutical composition comprising the compounds WARNER-LAMBERT COMPANY (US) 1985-12-18 — — EP disclosed
US-4548947-A 1-(Substituted-aryl)-dihydro-1H-pyrrolizine-3,5-[2H,6H-]diones and use for reversing amnesia WARNER-LAMBERT COMPANY (US) 1985-10-22 — — 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 (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-20070270436-A1 NOVEL AMINO- AND IMINO-ALKYLPIPERAZINES HTR5A, HTR1A, HTR2C ALDH1A1 962/4885CYP3A4 612/4885KCNA5 470/4885

“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.