SCHEMBL132271

SCHEMBL132271

[O]CCCCc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
NQO2 P16083 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
GPR84 Q9NQS5 1/20 0.47
ACP3 P15309 1/20 0.47
MCL1 Q07820 2/20 0.47
CYP2D6 P10635 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
DAO P14920 1/20 0.45

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
SCHEMBL129449 0.98 MTNR1A (0.47) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL12982184 0.98 MTNR1A (0.47) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL7643869 0.98 MTNR1A (0.47) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL12981740 0.98 MTNR1A (0.47) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL128593 0.98 MTNR1A (0.47) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL129500 0.94 MTNR1A (0.50) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL9800436 0.89 CYP1A2 (0.58) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL15352118 0.89 HPRT1 (0.48) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL27549 0.85 CYP1A2 (0.54) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL5830948 0.85 GPR84 (0.59) MTNR1ANQO2TDP1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233786-B Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2021-11-26 CN claimed
CN-111233786-A Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2020-06-05 CN claimed
US-4021421-A ENZYME INDUCING ACTIVITY RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1977-05-03 US claimed
CN-111233786-B Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2021-11-26 CN disclosed
EP-3059235-B1 TETRAZOLINONE DERIVATIVES AND THEIR USE FOR CONTROLLING PESTS SUMITOMO CHEMICAL CO (JP) 2020-10-28 EP disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
CN-111233786-A Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2020-06-05 CN disclosed
EP-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
EP-2520176-B1 Method for increasing the nutritional value of rapeseed and rape products with decreased oil content ROP REPCE OLAJ PELLET KFT (HU) 2019-02-20 EP disclosed
US-10085450-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-10-02 US disclosed
US-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 US disclosed
EP-0603225-B1 PROCESS FOR PRODUCING alpha-CHLOR-METHYLEN-TRIORGANYLPHOSPHORANE DERIVATES BASF AG (DE) 1997-06-04 EP disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 EP disclosed
WO-1993005053-A1 PROCESS FOR PRODUCING α-CHLOR-METHYLEN-TRIORGANYLPHOSPHORANE DERIVATES BASF AKTIENGESELLSCHAFT (DE) 1993-03-18 WO disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
US-5076831-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-12-31 US disclosed
EP-0430004-A2 1,8-Naphthalimides as antidotes BASF Aktiengesellschaft (DE) 1991-06-05 EP disclosed
US-4045433-A SEDATIVES RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1977-08-30 US disclosed
US-4021421-A ENZYME INDUCING ACTIVITY RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1977-05-03 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-10085450-B2 Tetrazolinone compound and use thereof ROS1, TCOF1, RPS20 MTNR1A 2482/4885NQO2 1435/4885TDP1 3166/4885

“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.