SCHEMBL7200084

SCHEMBL7200084

CCc1ccc(C(=O)C#Cc2cccs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
FFAR1 O14842 1/20 0.45
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLK1 P53350 1/20 0.39
VCP P55072 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7207752 0.89 FFAR1 (0.49) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL7202041 0.86 FFAR1 (0.47) ALDH1A1HPGDFFAR1HSD17B10PLK1
SCHEMBL7202504 0.85 FFAR1 (0.40) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL7203117 0.85 FFAR1 (0.42) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL7207754 0.85 FFAR1 (0.42) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL7201310 0.83 VCP (0.57) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL7206337 0.82 RAB9A (0.57) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL7200606 0.81 APP (0.49) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL7202747 0.81 HSP90AA1 (0.49) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL7204585 0.80 APP (0.51) RAB9ANPC1ALDH1A1MAPTHPGD

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.