SCHEMBL7200063

SCHEMBL7200063

O=C(C#Cc1cccs1)c1ccc(OC(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
GFER P55789 1/20 0.43
ADAM17 P78536 1/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.39
ALDH1A1 P00352 4/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.37
MDM2 Q00987 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL7200878 0.82 APP (0.54) MAPTRAB9AHPGDALDH1A1PKM
SCHEMBL7199088 0.81 KCNA5 (0.42) MAPTRAB9AATMHDAC3HDAC1
SCHEMBL7204230 0.80 APP (0.47) MAPTRAB9AALDH1A1LMNA
SCHEMBL7205422 0.79 HTT (0.45) MAPTRAB9AHPGDALDH1A1LMNA
SCHEMBL7206337 0.78 RAB9A (0.57) MAPTRAB9AHPGDALDH1A1LMNA
SCHEMBL7200606 0.78 APP (0.49) MAPTALOX15RAB9AHPGDALDH1A1
SCHEMBL7843701 0.78 RAB9A (0.43) MAPTRAB9AHPGDLMNAHTT
SCHEMBL7202747 0.78 HSP90AA1 (0.49) MAPTALOX15RAB9AHPGDALDH1A1
SCHEMBL7200317 0.77 CES2 (0.44) RAB9A
SCHEMBL7201310 0.77 VCP (0.57) MAPTALOX15GFERRAB9AHPGD

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 MAPT 4683/4885ALOX15 1095/4885GFER 369/4885

“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.