SCHEMBL7203746

SCHEMBL7203746

CC(C)(C)c1ccc(-c2cc(-c3cccs3)[nH]n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MEN1 O00255 5/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 2/20 0.56
NR2F2 P24468 1/20 0.56
ADORA3 P0DMS8 1/20 0.52
MAPT P10636 3/20 0.52
NFKB1 P19838 1/20 0.52
AHR P35869 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ALDH1A1 P00352 3/20 0.49
TP53 P04637 2/20 0.49
MITF O75030 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
APP P05067 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7202530 0.81 ADORA3 (0.56) KMT2AMEN1RAB9ANPC1ADORA3
SCHEMBL7200957 0.81 ADORA3 (0.56) KMT2AMEN1RAB9ANPC1ADORA3
SCHEMBL17279986 0.79 ADORA3 (0.60) KMT2AMEN1RAB9AADORA3MAPT
SCHEMBL22307592 0.78 RAB9A (0.63) KMT2AMEN1RAB9ANPC1NR2F2
SCHEMBL10220185 0.76 KMT2A (0.53) KMT2AMEN1RAB9AADORA3MAPT
SCHEMBL1623633 0.75 LTA4H (0.52) KMT2AMEN1MAPTALDH1A1TP53
SCHEMBL17279894 0.75 RAB9A (0.59) KMT2AMEN1RAB9ANPC1NR2F2
Methane SCHEMBL27303630 0.73 LTA4H (0.50) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL17570209 0.72 POLB (0.62) KMT2AMEN1RAB9AADORA3MAPT
SCHEMBL27961808 0.71 PRMT6 (0.47)

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 5 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
EP-1104418-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2001-06-06 EP disclosed
WO-2000009500-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-24 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-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 KMT2A 3922/4885MEN1 4820/4885RAB9A 1643/4885

“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.