SCHEMBL7204514

SCHEMBL7204514

C#CCOc1ccc(C(=O)C#Cc2cccs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
FFAR1 O14842 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
GSTP1 P09211 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL7206337 0.84 RAB9A (0.57) HPGDRAB9ANPC1TSHRMAOA
SCHEMBL7203450 0.82 MEN1 (0.51) HPGDRAB9ANPC1TSHRPOLB
SCHEMBL7199988 0.82 RAB9A (0.42) HPGDRAB9ANPC1TSHRFFAR1
SCHEMBL7843701 0.81 RAB9A (0.43) HPGDRAB9ANPC1TSHRFFAR1
SCHEMBL7200085 0.81 CHRNB2 (0.42) HPGDRAB9ANPC1TSHRCHRNB2
SCHEMBL7200878 0.80 APP (0.54) HPGDRAB9ANPC1CA1CA2
SCHEMBL7205422 0.77 HTT (0.45) HPGDRAB9ANPC1TSHRFFAR1
SCHEMBL7855707 0.77 CYP1A1 (0.52) HPGDRAB9ANPC1TSHRMAOB
SCHEMBL7199088 0.76 KCNA5 (0.42) RAB9ANPC1HDAC3HDAC2MEN1
SCHEMBL7204933 0.76 NPC1 (0.50) HPGDRAB9ANPC1TSHRCHRNB2

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 HPGD 3007/4885RAB9A 1643/4885NPC1 395/4885

“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.