SCHEMBL5145673

SCHEMBL5145673

O=COCCCOc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.60
DRD2 P14416 5/20 0.53
DRD4 P21917 5/20 0.53
DRD3 P35462 5/20 0.53
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
HTR1B P28222 1/20 0.47
LTA4H P09960 1/20 0.47

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
SCHEMBL5253804 0.96 KCNA3 (0.67) KCNA3DRD2DRD4DRD3HDAC3
SCHEMBL7027136 0.94 KCNA3 (0.64) KCNA3DRD2DRD4DRD3HDAC3
SCHEMBL5254257 0.94 KCNA3 (0.64) KCNA3DRD2DRD4DRD3HDAC3
SCHEMBL1231287 0.89 KCNA3 (0.56) KCNA3DRD2DRD4DRD3HDAC3
SCHEMBL27975023 0.84 LTA4H (0.65) KCNA3DRD2DRD3ALDH1A1LTA4H
SCHEMBL9908990 0.84 KCNA3 (0.50) KCNA3DRD2DRD4DRD3TAAR1
SCHEMBL1025 0.82 KCNA3 (0.88) KCNA3DRD2DRD4DRD3HDAC3
SCHEMBL6394914 0.80 DRD2 (0.49) DRD2DRD4DRD3ALDH1A1L3MBTL1
SCHEMBL16442726 0.80 DRD2 (0.56) DRD2DRD4DRD3ALDH1A1L3MBTL1
Ethoxycarbonyl Group SCHEMBL27277943 0.80 LTA4H (0.62) KCNA3DRD2DRD3ALDH1A1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0152759-B1 AMINOISOTHIAZOLE COMPOUNDS BASF Aktiengesellschaft (DE) 1989-08-23 EP claimed
EP-0150034-B1 DERIVATIVES OF 2-AMINOTHIOPHENE BASF Aktiengesellschaft (DE) 1989-08-02 EP claimed
US-4785116-A Aminoisothiazole compounds BASF AKTIENGESELLSCHAFT (DE) 1988-11-15 US claimed
US-20210309619-A1 ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-10-07 US disclosed
US-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-09-07 US disclosed
EP-3828176-A1 ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT Hokko Chemical Industry Co., Ltd. (JP) 2021-06-02 EP disclosed
US-20200267985-A1 ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2020-08-27 US disclosed
WO-2020022350-A1 ISOXAZOLIN-5-ONE DERIVATIVE, AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT 北興化学工業株式会社 2020-01-30 WO disclosed
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
US-7205083-B2 Recording material FUJIFILM CORPORATION (JP) 2007-04-17 US disclosed
US-6787502-B2 INCLUSION OF A STRONGLY BASIC BIS-GUANIDINE COMPOUND THAT IS SUPERIOR IN DIFFUSION RESISTANCE; SPECIFIED DIAZONIUM SALT COMPOUND AND A PYRROLO(1,2-A)PYRIMIDINE COUPLER IN RECORDING LAYER FUJI PHOTO FILM CO., LTD. (JP) 2004-09-07 US disclosed
WO-1996003462-A1 AZO DYES HAVING A COUPLING COMPONENT FROM THE AMINOTHIAZOLE SERIES BASF AKTIENGESELLSCHAFT (DE) 1996-02-08 WO disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
EP-0152759-B1 AMINOISOTHIAZOLE COMPOUNDS BASF Aktiengesellschaft (DE) 1989-08-23 EP disclosed
EP-0150034-B1 DERIVATIVES OF 2-AMINOTHIOPHENE BASF Aktiengesellschaft (DE) 1989-08-02 EP disclosed
US-4785116-A Aminoisothiazole compounds BASF AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0152759-A1 Aminoisothiazole compounds BASF Aktiengesellschaft (DE) 1985-08-28 EP disclosed
EP-0150034-A2 Derivatives of 2-aminothiophene BASF Aktiengesellschaft (DE) 1985-07-31 EP disclosed
EP-0150034-A2 Derivatives of 2-aminothiophene BASF Aktiengesellschaft (DE) 1985-07-31 EP disclosed
EP-0000644-A2 Lower cycloalkyl substituted-benzene derivatives, the preparation thereof and their pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-02-07 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 (3 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-20200267985-A1 ISOXAZOLIN-5-ONE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT HAX1, CYP4X1, CANX KCNA3 641/4885DRD2 2094/4885DRD4 1093/4885
US-11109593-B2 Isoxazolin-5-one derivative and herbicide containing same as active ingredient HAX1, CYP4X1, CANX KCNA3 641/4885DRD2 2094/4885DRD4 1093/4885
US-20210309619-A1 ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS HAX1, CYP4X1, CNPY2 KCNA3 385/4885DRD2 1922/4885DRD4 1176/4885

“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.