SCHEMBL7203112

SCHEMBL7203112

O=C(CC(=O)c1c(Cl)cc(Cl)cc1Cl)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ GSK3B P49841 1/20 0.53
▸ ERCC5 P28715 1/20 0.53
▸ FEN1 P39748 1/20 0.53
▸ ALDH1A1 P00352 7/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ POLB P06746 2/20 0.51
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 4/20 0.48
▸ CTNNB1 P35222 1/20 0.47
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TP53 P04637 1/20 0.47

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
SCHEMBL7201296 0.83 CTNNB1 (0.55) RAB9ASMN1; SMN2NPC1GSK3BERCC5
SCHEMBL7207201 0.82 RAB9A (0.70) RAB9ASMN1; SMN2NPC1GSK3BERCC5
SCHEMBL711360 0.81 RAB9A (0.75) RAB9ASMN1; SMN2NPC1GSK3BERCC5
SCHEMBL7200564 0.78 RAB9A (0.67) RAB9ASMN1; SMN2NPC1GSK3BERCC5
SCHEMBL7205497 0.77 MAPT (0.69) RAB9ASMN1; SMN2NPC1GSK3BERCC5
SCHEMBL7203066 0.77 ERCC5 (0.56) RAB9ASMN1; SMN2NPC1GSK3BERCC5
SCHEMBL7201699 0.76 L3MBTL1 (0.68) RAB9ASMN1; SMN2NPC1GSK3BERCC5
SCHEMBL18186485 0.75 CNR2 (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL7203145 0.75 ERCC5 (0.53) RAB9ASMN1; SMN2NPC1GSK3BERCC5
SCHEMBL7203551 0.74 CTNNB1 (0.56) RAB9ASMN1; SMN2NPC1GSK3BERCC5

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 RAB9A 1643/4885SMN1; SMN2 3988/4885NPC1 395/4885

“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.

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