SCHEMBL2045587

SCHEMBL2045587

COCOc1c(C)cccc1C(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.49
▸ SCN4A P35499 10/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ SCN1A P35498 2/20 0.40
▸ SCN5A Q14524 2/20 0.40
▸ SCN9A Q15858 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ SCN8A Q9UQD0 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ KCNK3 O14649 1/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ KCNK2 O95069 1/20 0.40
▸ GBA1 P04062 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40

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
SCHEMBL13594738 0.81 PTPN1 (0.61) PTPN1SCN4ALMNACYP2D6SCN1A
SCHEMBL9326077 0.75 PTPN1 (0.52) PTPN1LMNACYP1A2SCN8A
SCHEMBL12957068 0.75 PTPN1 (0.43) PTPN1SCN4ALMNACYP2D6SCN1A
SCHEMBL31692849 0.73 L3MBTL1 (0.36) PTPN1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL1986623 0.73 SCN4A (0.39) SCN4ALMNACYP2D6SCN1ASCN5A
SCHEMBL14834564 0.73 PTPN1 (0.57) PTPN1SCN4ALMNACYP2D6SCN1A
SCHEMBL12772138 0.73 PTPN1 (0.53) PTPN1SCN4ALMNACYP2D6SCN1A
SCHEMBL2279409 0.71 PTPN1 (0.55) PTPN1SCN4ALMNACYP2D6SCN1A
SCHEMBL9859837 0.70 PTPN1 (0.54) PTPN1SCN4ALMNACYP2D6SCN1A
SCHEMBL6832124 0.70 ALDH1A1 (0.54) PTPN1SCN4ALMNACYP2D6SCN1A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1543455-B 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same SANKYO AGRO CO LTD 2012-07-11 — — CN disclosed
US-7964531-B2 3-phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2011-06-21 — — US disclosed
US-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2010-02-18 — — US disclosed
US-7608563-B2 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same MITSUI AGRO CHEMICALS, INC. (JP) 2009-10-27 — — US disclosed
EP-1426365-B9 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2009-10-21 — — EP disclosed
EP-1426365-B1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME SANKYO AGRO CO LTD (JP) 2009-07-15 — — EP disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 — — US disclosed
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 — — CN disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 — — 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-20100041555-A1 3-Phenoxy-4-pyridazinol derivatives and herbicidal composition containing the same CBR3, DDT, CBR1 PTPN1 500/4885SCN4A 677/4885LMNA 3969/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 PTPN1 357/4885SCN4A 603/4885LMNA 3977/4885

“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.

Send feedback