SCHEMBL7204235

SCHEMBL7204235

CC(C(=O)c1ccc(Cl)cc1)C(=O)c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
LMNA P02545 6/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 6/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
RAF1 P04049 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 4/20 0.46
CYP2C9 P11712 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL29588329 0.85 HPGDS (0.58) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL1937375 0.85 RAB9A (0.58) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL7203385 0.84 MEN1 (0.48) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL7203380 0.81 RAB9A (0.55) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL7204541 0.81 RAB9A (0.51) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL7200039 0.79 RAB9A (0.49) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL27493547 0.78 CES2 (0.61) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
SCHEMBL7203620 0.77 RAB9A (0.48) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL7205957 0.76 RAB9A (0.47) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL3839189 0.76 DAO (0.55) RAB9ANPC1SMN1; SMN2LMNAALDH1A1

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 RAB9A 1643/4885NPC1 395/4885SMN1; 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.