SCHEMBL128593

SCHEMBL128593

[O]CCCCCc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.47
NQO2 P16083 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
ACP3 P15309 1/20 0.46
MCL1 Q07820 2/20 0.46
CYP2D6 P10635 1/20 0.44
DAO P14920 1/20 0.44
SLC16A3 O15427 1/20 0.43

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 1.00 MTNR1A (0.47) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL12982184 1.00 MTNR1A (0.47) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL7643869 1.00 MTNR1A (0.47) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL12981740 1.00 MTNR1A (0.47) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL132271 0.98 MTNR1A (0.49) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL129500 0.92 MTNR1A (0.50) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL9800436 0.88 CYP1A2 (0.58) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL15352118 0.87 HPRT1 (0.48) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL7694474 0.85 MTNR1A (0.41) MTNR1ANQO2GPR84SLC16A3
SCHEMBL7690978 0.85 MTNR1A (0.41) MTNR1ANQO2GPR84SLC16A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552034-B2 Cyclization of a silylated butadiene reacted with a 2-oxo-1,2,3,4-tetrahydroquinoline; acne; alopecia; prostatic cancer and hypertrophy; hirsutism in women; skin and glandular disorders; anticarcinogenic agents APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-04-22 US claimed
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
EP-3040332-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-06-03 EP disclosed
US-10085450-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-10-02 US disclosed
US-9730448-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-15 US disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
EP-2754682-B1 METHOD FOR MANUFACTURING BLOCK COPOLYMER NIPPON KAYAKU KK (JP) 2017-06-07 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-20160270399-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-22 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
EP-1132087-A1 REMEDIES FOR POLYCYSTIC OVARY SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-12 EP disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP 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 (2 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
US-20160270399-A1 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.