SCHEMBL7203633

SCHEMBL7203633

Cc1ccc(-c2ccc(C(O)C#Cc3cccs3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
GPR88 Q9GZN0 2/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
FFAR1 O14842 2/20 0.35
SLC6A3 Q01959 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35

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 0.95 GRM5 (0.43) GRM5ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7206558 0.88 MAPT (0.39) GRM5ALDH1A1NPC1RAB9AHPGD
SCHEMBL7199148 0.85 MAPT (0.36) GRM5ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7199032 0.83 GRM5 (0.40) GRM5ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7205975 0.81 AHR (0.39) GRM5ALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL7205217 0.81 ALDH1A1 (0.43) GRM5ALDH1A1NPC1RAB9AHPGD
SCHEMBL7200438 0.80 MAPT (0.37) GRM5ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7200042 0.80 ADK (0.43) GRM5ALDH1A1RAB9AHPGDMAPT
SCHEMBL7201347 0.80 ALDH1A1 (0.37) GRM5ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL7200071 0.80 ALDH1A1 (0.37) GRM5ALDH1A1KDM4ENPC1RAB9A

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 5 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
EP-1104418-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2001-06-06 EP disclosed
WO-2000009500-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-24 WO 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 1963/4885ALDH1A1 1476/4885KDM4E 2628/4885

“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.