SCHEMBL6008064

SCHEMBL6008064

c1ccc2c(CNCc3cccc4ccccc34)cccc2c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC5R P33032 2/20 0.70
MAPK1 P28482 1/20 0.70
MC1R Q01726 1/20 0.68
HPGD P15428 1/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
CA2 P00918 2/20 0.58
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
DNM1 Q05193 1/20 0.53
CYP2D6 P10635 1/20 0.52
MAPT P10636 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA4 P22748 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL29582547 0.91 HPGD (0.69) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL20495649 0.91 HPGD (0.69) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL30482193 0.90 MC5R (0.70) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL2865597 0.90 MC5R (0.70) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL9305839 0.88 MC5R (0.58) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL3626833 0.87 MC5R (0.57) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL21379748 0.86 HPGD (0.63) MC5RMAPK1MC1RHPGDCA2
SCHEMBL23717985 0.85 HPGD (0.58) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL20495652 0.84 HPGD (0.66) MC5RMAPK1MC1RHPGDMEN1
SCHEMBL29646511 0.84 HPGD (0.66) MC5RMAPK1MC1RHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078164-B1 PTEN binding compounds, formulations, and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2021-08-03 US disclosed
US-20190161450-A1 PTEN BINDING COMPOUNDS, FORMULATIONS, AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA (US) 2019-05-30 US disclosed
EP-3141537-B1 A LABELING PRECURSOR COMPOUND AND METHOD FOR PRODUCING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME NIHON MEDIPHYSICS CO LTD (JP) 2018-11-07 EP disclosed
US-10081620-B2 Radioactive fluorine labeling precursor compound and method for manufacturing radioactive fluorine labeled compound using the same NIHON MEDI-PHYSICS CO., LTD. (JP) 2018-09-25 US disclosed
EP-3141537-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2017-03-15 EP disclosed
EP-3141537-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2017-03-15 EP disclosed
US-20170066748-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066748-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066748-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2017-03-09 US disclosed
US-9566284-B2 Agents and methods for treating ischemic and other diseases NONO INC. (CA) 2017-02-14 US disclosed
EP-0345068-B1 Agonist of gamma-aminobutyric acid WYETH JOHN & BROTHER LTD (GB) 1995-03-15 EP disclosed
US-5389658-A Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0612729-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-31 EP disclosed
US-5321047-A Antidepressant JOHN WYETH & BROTHER, LIMITED (GB) 1994-06-14 US disclosed
US-5246948-A Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 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 (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-10081620-B2 Radioactive fluorine labeling precursor compound and method for manufacturing radioactive fluorine labeled compound using the same AFF1, NPFFR1, AFF2 MC5R 638/4885MAPK1 2554/4885MC1R 328/4885
US-11078164-B1 PTEN binding compounds, formulations, and uses thereof PTEN, EYA2, PIK3CA MC5R 3992/4885MAPK1 1516/4885MC1R 3615/4885
US-20190161450-A1 PTEN BINDING COMPOUNDS, FORMULATIONS, AND USES THEREOF PTEN, EYA2, PIK3CA MC5R 3992/4885MAPK1 1516/4885MC1R 3615/4885
US-20170066748-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME AFF1, NPFFR1, AFF2 MC5R 638/4885MAPK1 2554/4885MC1R 328/4885

“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.