SCHEMBL7200260

SCHEMBL7200260

C#CC(O)c1ccc(OCC(F)(F)C(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
ACACB O00763 3/20 0.37
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
CFTR P13569 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL7202728 0.86 CYP2C9 (0.50) HTTKMT2ASMN1; SMN2ALDH1A1CYP17A1
SCHEMBL5384421 0.75 HTT (0.50) HTTKMT2ASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL7205470 0.74 HTT (0.41) HTTKMT2ASMN1; SMN2ALDH1A1CYP17A1
SCHEMBL7840390 0.74 HTT (0.44) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7204275 0.74 NQO1 (0.52) KMT2ATSHRACACBMEN1TDP1
SCHEMBL7205487 0.74 PDE2A (0.42) KMT2ASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL7202031 0.74 CA12 (0.46)
SCHEMBL9745973 0.73 HTT (0.56) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8422629 0.72 HTT (0.45) HTTKMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL28724030 0.72 HTT (0.48) HTTKMT2ASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605730-B2 3-(2-Thienyl)-5-phenyl-1H-pyrazole compounds of given formula NIHON BAYER AGROCHEM K.K. (JP) 2003-08-12 US disclosed
US-20030028034-A1 Nematicidal pyrazoles WADA KATSUAKI (JP) 2003-02-06 US disclosed
US-6310049-B1 3-(2-THIENYL),5-(SUBSTITUTED PHENYL)-1H-PYRAZOLES AND 3-(SUBSTITUTED PHENYL),5-(2-THIENYL)-1H-PYRAZOLES OF GIVEN FORMULA; ANTHELMINTICS NIHON BAYER AGROCHEM K.K. (JP) 2001-10-30 US 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-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 HTT 3125/4885KMT2A 3922/4885SMN1; SMN2 3988/4885

“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.