SCHEMBL7200878

SCHEMBL7200878

COc1ccc(C(=O)C#Cc2cccs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.49
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
PKM P14618 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 1/20 0.43
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL7199988 0.85 RAB9A (0.42) APPL3MBTL1KMT2AMAPTNPC1
SCHEMBL7206337 0.85 RAB9A (0.57) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7201310 0.83 VCP (0.57) L3MBTL1KMT2AMAPTNPC1RAB9A
SCHEMBL7203450 0.82 MEN1 (0.51) L3MBTL1KMT2AMAPTNPC1RAB9A
SCHEMBL7199088 0.82 KCNA5 (0.42) KMT2AMAPTNPC1RAB9AMEN1
SCHEMBL7200063 0.82 MAPT (0.43) L3MBTL1MAPTRAB9APKMALDH1A1
SCHEMBL7203117 0.82 FFAR1 (0.42) APPL3MBTL1KMT2AMAPTNPC1
SCHEMBL7200606 0.81 APP (0.49) APPL3MBTL1KMT2AMAPTNPC1
SCHEMBL7202747 0.81 HSP90AA1 (0.49) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7203523 0.80 RAB9A (0.49) L3MBTL1KMT2AMAPTNPC1RAB9A

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 APP 4809/4885L3MBTL1 324/4885KMT2A 3922/4885

“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.