SCHEMBL2048035

SCHEMBL2048035

Oc1cc(Cl)nnc1Oc1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.40
NOTUM Q6P988 1/20 0.38
P2RX7 Q99572 4/20 0.36
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CCR4 P51679 1/20 0.34
CTSS P25774 2/20 0.33
CTSK P43235 1/20 0.33
SCN9A Q15858 1/20 0.33
EPAS1 Q99814 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
AR P10275 1/20 0.33
RAB9A P51151 1/20 0.32
MAP2K1 Q02750 1/20 0.32

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
SCHEMBL2051362 0.89 MRGPRX1 (0.40) HPGDSCN9ACYP1A2CYP3A4CYP2C19
SCHEMBL2048889 0.88 CHEK2 (0.36) MRGPRX4HPGDSCN9ACYP1A2CYP3A4
SCHEMBL2047100 0.81 ALDH1A1 (0.41) MRGPRX4HPGDKDM4EALDH1A1ATM
SCHEMBL2047088 0.81 RXRA (0.35) HPGDKDM4EALDH1A1ATMNPSR1
SCHEMBL2044730 0.79 TDP1 (0.41) ALDH1A1ATM
SCHEMBL2053034 0.78 ALDH1A1 (0.39) KDM4EALDH1A1NPSR1SCN9ACYP3A4
SCHEMBL2050885 0.78 MRGPRX1 (0.38) HPGDALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL2046457 0.77 GCK (0.43) MRGPRX4ALDH1A1SCN9ACYP3A4RAB9A
SCHEMBL2052233 0.77 RXRA (0.43) HPGDKDM4EALDH1A1ATMNPSR1
SCHEMBL2049815 0.77 HSD11B1 (0.39) MRGPRX4ALDH1A1SCN9AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MRGPRX4 1995/4885NOTUM 1194/4885P2RX7 771/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 MRGPRX4 2076/4885NOTUM 1179/4885P2RX7 761/4885

“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.