SCHEMBL6417475

SCHEMBL6417475

c1ccc(-c2cc(-c3cccs3)n[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
POLB P06746 2/20 0.62
ADORA3 P0DMS8 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
HPGDS O60760 1/20 0.51
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NFKB1 P19838 1/20 0.49
AHR P35869 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
APP P05067 1/20 0.46
MELK Q14680 1/20 0.46
ALOX15 P16050 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.44
DRD2 P14416 1/20 0.43

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
SCHEMBL7203773 0.86 MKNK1 (0.53) RAB9APOLBADORA3SMN1; SMN2MAPT
SCHEMBL17570209 0.86 POLB (0.62) RAB9APOLBADORA3SMN1; SMN2HPGDS
SCHEMBL6413241 0.82 MAPT (0.66) RAB9AADORA3SMN1; SMN2MAPTMEN1
SCHEMBL17279986 0.80 ADORA3 (0.60) RAB9APOLBADORA3SMN1; SMN2MAPT
SCHEMBL17280251 0.80 RAB9A (0.87) RAB9APOLBADORA3SMN1; SMN2HPGDS
SCHEMBL1230353 0.78 RAB9A (1.00) RAB9APOLBADORA3HPGDSMAPT
SCHEMBL14985526 0.76 RAB9A (0.57) RAB9APOLBADORA3HPGDSMAPT
SCHEMBL17279801 0.76 RAB9A (0.96) RAB9APOLBADORA3HPGDSMAPT
SCHEMBL17345709 0.74 RAB9A (0.92) RAB9APOLBADORA3HPGDSMAPT
SCHEMBL20340353 0.74 RAB9A (0.84) RAB9APOLBADORA3SMN1; SMN2HPGDS

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050048092-A1 Thienyl-pyrazoles and their use for controlling pests WADA KATSUAKI (JP) 2005-03-03 US disclosed
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-6593358-B1 Method for controlling pests, comprising the step of allowing a pesticidally effective amount of one or more compounds selected from the group consisting of one or more compounds of the formula (Ia) according to claim 2 and one or compounds NIHON BAYER AGROCHEM K.K. (JP) 2003-07-15 US disclosed
US-20030028034-A1 Nematicidal pyrazoles WADA KATSUAKI (JP) 2003-02-06 US disclosed
EP-1200425-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (JP) 2002-05-02 EP 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-2001005787-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (DE) 2001-01-25 WO 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 (2 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-20050048092-A1 Thienyl-pyrazoles and their use for controlling pests CBR3, C1S, CYP4B1 RAB9A 400/4885POLB 4567/4885ADORA3 757/4885
US-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 RAB9A 1643/4885POLB 4420/4885ADORA3 842/4885

“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.