SCHEMBL7203756

SCHEMBL7203756

CC(C)c1ccc(C(=O)CC(=O)c2cccs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
GAA P10253 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CTNNB1 P35222 1/20 0.52
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
CYP2C9 P11712 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
POLB P06746 2/20 0.50
USP5 P45974 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
SCHEMBL7200564 0.83 RAB9A (0.67) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7207262 0.83 NPC1 (0.67) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL269939 0.82 USP5 (0.66) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL15235913 0.81 RAB9A (0.57) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2739306 0.81 HPGD (0.74) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7200952 0.81 MEN1 (0.58) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1436183 0.80 ERCC5 (0.66) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7207767 0.80 RAB9A (0.68) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL711360 0.80 RAB9A (0.75) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL10588363 0.80 HPGD (0.72) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2

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 1643/4885NPC1 395/4885ALDH1A1 1476/4885

“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.