Sugi Predict

Sugi Predict / Compounds / SCHEMBL5466685

SCHEMBL5466685

SCHEMBL5466685

CCC1(c2ccccc2)C(=O)NC(=S)NC1=O

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ TSHR P16473 2/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ APEX1 P27695 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ MMP2 P08253 6/20 0.60
▸ MMP9 P14780 6/20 0.60
▸ MMP3 P08254 3/20 0.60
▸ LMNA P02545 3/20 0.58
▸ CYP2C19 P33261 2/20 0.53
▸ MAPT P10636 2/20 0.41
▸ MMP13 P45452 2/20 0.40
▸ MMP8 P22894 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
Phenobarbital SCHEMBL28099657 0.85 MMP2 (0.80) KMT2AMEN1TSHRCYP1A2POLB
Phenobarbital SCHEMBL16583 0.85 MMP2 (0.80) KMT2AMEN1TSHRCYP1A2POLB
Phenobarbital SCHEMBL18825042 0.85 MMP2 (0.80) KMT2AMEN1TSHRCYP1A2POLB
Phenobarbital SCHEMBL2592325 0.85 MMP2 (0.80) KMT2AMEN1TSHRCYP1A2POLB
Phenobarbital SCHEMBL352763 0.83 MMP2 (0.77) KMT2AMEN1TSHRCYP1A2POLB
Phenobarbital SCHEMBL22032658 0.83 MMP2 (0.77) KMT2AMEN1TSHRCYP1A2POLB
Phenobarbital SCHEMBL2120028 0.83 MMP2 (0.77) KMT2AMEN1TSHRCYP1A2POLB
Phenobarbital SCHEMBL3475428 0.83 MMP2 (0.77) KMT2AMEN1TSHRCYP1A2POLB
Phenobarbital SCHEMBL6807467 0.83 MMP2 (0.77) KMT2AMEN1TSHRCYP1A2POLB
Phenobarbital SCHEMBL1322895 0.83 MMP2 (0.77) KMT2AMEN1TSHRCYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072505-B Preparation method of pentadeuterium atom substituted 2-thiophenobarbital 中国科学院成都有机化学有限公司 2022-07-19 — — CN claimed
CN-113072505-A Preparation method of pentadeuterium atom substituted 2-thiophenobarbital 中国科学院成都有机化学有限公司 2021-07-06 — — CN claimed
CN-113072505-B Preparation method of pentadeuterium atom substituted 2-thiophenobarbital 中国科学院成都有机化学有限公司 2022-07-19 — — CN disclosed
CN-113072505-B Preparation method of pentadeuterium atom substituted 2-thiophenobarbital 中国科学院成都有机化学有限公司 2022-07-19 — — CN disclosed
CN-113072505-B Preparation method of pentadeuterium atom substituted 2-thiophenobarbital 中国科学院成都有机化学有限公司 2022-07-19 — — CN disclosed
CN-113072505-A Preparation method of pentadeuterium atom substituted 2-thiophenobarbital 中国科学院成都有机化学有限公司 2021-07-06 — — CN disclosed
CN-113072505-A Preparation method of pentadeuterium atom substituted 2-thiophenobarbital 中国科学院成都有机化学有限公司 2021-07-06 — — CN disclosed
CN-113072505-A Preparation method of pentadeuterium atom substituted 2-thiophenobarbital 中国科学院成都有机化学有限公司 2021-07-06 — — CN disclosed
US-20070149779-A1 PRIMIDONE PROCESS AND COMPOSITIONS DR. REDDY'S LABORATORIES, INC. 2007-06-28 — — US disclosed
US-20070149779-A1 PRIMIDONE PROCESS AND COMPOSITIONS DR. REDDY'S LABORATORIES, INC. 2007-06-28 — — US disclosed
US-20070149779-A1 PRIMIDONE PROCESS AND COMPOSITIONS DR. REDDY'S LABORATORIES, INC. 2007-06-28 — — US disclosed
US-4238395-A INTERMEDIATE OF CHEMILUMINESCENT NAPHTHALENE-1,2-DICARBOXYLIC ACID HYDRAZIDE-LABELED CONJUGATES MILES LABORATORIES, INC. (US) 1980-12-09 — — US disclosed
US-4226993-A INTERMEDIATES FOR CHEMILUMINESCENT LABELED CONJUGATES MILES LABORATORIES, INC. (US) 1980-10-07 — — US disclosed
US-4226992-A INTERMEDIATES FOR CHEMILUMINESCENT LABELED CONJUGATES MILES LABORATORIES, INC. (US) 1980-10-07 — — US disclosed
US-4225485-A Chemiluminescent naphthalene-1,2-dicarboxylic acid hydrazide-labeled polypeptides and proteins MILES LABORATORIES, INC. (US) 1980-09-30 — — US disclosed
US-4213893-A Flavin adenine dinucleotide-labeled conjugates for use in specific binding assays MILES LABORATORIES, INC. (US) 1980-07-22 — — US disclosed
US-4212805-A INTERMEDIATES OF PHTHALHYDRAZIDE-LABELED CONJUGATES MILES LABORATORIES, INC. (US) 1980-07-15 — — US disclosed
US-4087529-A Therapeutic composition containing an N-mono (alkoxy-methyl) phenobarbital and a method of treating convulsions therewith BRISTOL-MYERS COMPANY (US) 1978-05-02 — — US disclosed
US-4054565-A Process for preparing N-mono(alkoxymethyl) phenobarbitals BRISTOL-MYERS COMPANY (US) 1977-10-18 — — US disclosed
US-3948896-A N-mono(alkoxymethyl) phenobarbitals, process therefor and therapeutic composition and method containing same THE KENDALL COMPANY (US) 1976-04-06 — — 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-20070149779-A1 PRIMIDONE PROCESS AND COMPOSITIONS DPYD, SDHA, NDUFS5 KMT2A 2483/4885MEN1 1706/4885TSHR 4581/4885

“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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