SCHEMBL7200890

SCHEMBL7200890

Cc1cccc(C(O)C#Cc2cccs2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.40
ACP3 P15309 1/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
HPGD P15428 4/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
CTSA P10619 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
ERN1 O75460 1/20 0.32
EPHX1 P07099 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL7204981 0.83 GRM5 (0.43) GRM5ALDH1A1L3MBTL1HPGDMAPT
SCHEMBL7205022 0.82 NPC1 (0.39) GRM5ACP3ALDH1A1L3MBTL1HPGD
SCHEMBL7205217 0.81 ALDH1A1 (0.43) GRM5ALDH1A1L3MBTL1HPGDMAPT
SCHEMBL7203633 0.79 GRM5 (0.40) GRM5ALDH1A1L3MBTL1HPGDMAPT
SCHEMBL7199032 0.77 GRM5 (0.40) GRM5ALDH1A1L3MBTL1HPGDMAPT
SCHEMBL7201280 0.77 CES2 (0.36) GRM5ALDH1A1L3MBTL1HPGDMAPT
SCHEMBL7203432 0.77 SLC6A2 (0.38) GRM5ALDH1A1L3MBTL1HPGDMAPT
SCHEMBL7205459 0.76 GRM5 (0.38) GRM5ALDH1A1L3MBTL1HPGDMAPT
SCHEMBL7200471 0.76 GRM5 (0.35) GRM5ALDH1A1L3MBTL1HPGDMAPT
SCHEMBL7199164 0.76 ADK (0.39) GRM5ALDH1A1L3MBTL1HPGDMAPT

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 GRM5 1963/4885ACP3 4172/4885ALDH1A1 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.