SCHEMBL1531177

SCHEMBL1531177

CCc1c(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)n[nH]c1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 7/20 0.38
GABRA2 P47869 4/20 0.38
GABRB2 P47870 4/20 0.38
IKBKB O14920 1/20 0.36
P2RX7 Q99572 4/20 0.35
DHODH Q02127 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL1531097 0.84 CYP1A2 (0.48) L3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL1531184 0.83 IKBKB (0.39) GABRB3GABRA2GABRB2IKBKBDHODH
SCHEMBL13325971 0.76 AGBL2 (0.36) IKBKBDHODHL3MBTL1CYP1A2CYP3A4
SCHEMBL1531076 0.73 DHODH (0.39) GABRB3GABRA2GABRB2IKBKBDHODH
SCHEMBL1531388 0.73 GABRB3 (0.36) GABRB3GABRA2GABRB2CYP1A2CYP2C19
SCHEMBL13406009 0.72 DHODH (0.36) IKBKBP2RX7DHODHL3MBTL1CYP1A2
SCHEMBL13326046 0.71 PTGS2 (0.35) DHODHL3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL20528672 0.70 GABRB3 (0.39) GABRB3GABRA2GABRB2L3MBTL1
SCHEMBL1531212 0.70 ALDH1A1 (0.43) L3MBTL1
SCHEMBL13303524 0.69 GAA (0.39) CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362852-B1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 2011-04-06 EP disclosed
EP-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 EP disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1362852-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-11-19 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-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT CYP51A1, CYP4F11, WEE1 GABRB3 1745/4885GABRA2 2297/4885GABRB2 1550/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 GABRB3 1745/4885GABRA2 2297/4885GABRB2 1550/4885

“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.