SCHEMBL5410404

SCHEMBL5410404

CCn1ncc(C(=O)c2ccc(-n3nc(C(F)(F)F)n(C)c3=O)cc2Cl)c1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.39
TRPC3 Q13507 1/20 0.35
BRD9 Q9H8M2 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR1 P32246 1/20 0.34
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
P2RX7 Q99572 1/20 0.33
NR3C1 P04150 1/20 0.32
CMA1 P23946 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL14372185 0.83 DHODH (0.36) DHODHTRPC3RAB9ASMN1; SMN2CCR1
SCHEMBL5421340 0.78 MYC (0.47) DHODHSMN1; SMN2CMA1
SCHEMBL7507573 0.76 DHODH (0.38) DHODHBRD9
SCHEMBL10668544 0.74 RAB9A (0.50) RAB9ASMN1; SMN2PPARG
SCHEMBL6137015 0.73 HPD (0.40) DHODH
SCHEMBL5416536 0.72 L3MBTL1 (0.54) DHODHP2RX7CMA1
SCHEMBL10673048 0.70 SMO (0.43) RAB9ASMN1; SMN2PPARG
SCHEMBL27524777 0.69 LMNA (0.44) RAB9ASMN1; SMN2
SCHEMBL5420508 0.67 CTSK (0.47)
SCHEMBL12724669 0.66 LMNA (0.36) RAB9ASMN1; SMN2CCR1P2RX7NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-7279444-B2 Substituted benzoylpyrazoles BAYER CROPSCIENCE GMBH (DE) 2007-10-09 US disclosed
US-20040248740-A1 Substituted benzoylpyrazoles MULLER KLAUS-HELMUT (DE) 2004-12-09 US disclosed
US-6746989-B1 HAVE STRONG HERBICIDAL ACTIVITY AND BROAD ACTIVITY SPECTRUM WHEN APPLIED TO SOIL AND ON ABOVE-GROUND PARTS OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-08 US disclosed
EP-1165547-B1 SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2003-08-27 EP disclosed
EP-1165547-A1 SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-01-02 EP disclosed
WO-2000058306-A1 SUBSTITUTED BENZOYLPYRAZOLES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-10-05 WO 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 (1 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-20040248740-A1 Substituted benzoylpyrazoles CYP1B1, CYP1A1, CYP2E1 DHODH 1763/4885TRPC3 2475/4885BRD9 862/4885

“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.