SCHEMBL7202528

SCHEMBL7202528

CC(C)(C)c1ccc(C2=NNC(c3cccs3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 4/20 0.49
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MAOB P27338 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 6/20 0.36
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KIF11 P52732 2/20 0.35
BCHE P06276 2/20 0.34
MAOA P21397 1/20 0.34
LMNA P02545 2/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL7200293 0.88 MEN1 (0.50) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL27760026 0.85 MEN1 (0.52) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL7199122 0.84 MEN1 (0.51) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL7203726 0.83 MEN1 (0.53) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL7200601 0.82 MEN1 (0.65) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL7206304 0.82 MEN1 (0.52) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL7206032 0.82 MAPT (0.52) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL7203205 0.82 MAPT (0.58) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL7203657 0.82 KDM4E (0.52) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL7207794 0.82 MEN1 (0.49) KMT2AMEN1KDM4EMAPTNPC1

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 KMT2A 3922/4885MEN1 4820/4885KDM4E 2628/4885

“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.