SCHEMBL7201310

SCHEMBL7201310

Cc1ccc(C(=O)C#Cc2cccs2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.57
RAB9A P51151 10/20 0.49
NPC1 O15118 9/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
GRM5 P41594 1/20 0.43
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FFAR1 O14842 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
SCHEMBL7204957 0.95 VCP (0.53) VCPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7845479 0.93 VCP (0.50) VCPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7200606 0.85 APP (0.49) VCPRAB9ANPC1ALDH1A1TP53
SCHEMBL7202747 0.85 HSP90AA1 (0.49) VCPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7203532 0.84 MAPT (0.44) VCPSMN1; SMN2GRM5MAPTMEN1
SCHEMBL7204230 0.84 APP (0.47) VCPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7204585 0.84 APP (0.51) VCPRAB9ANPC1ALDH1A1HPGD
SCHEMBL7203523 0.84 RAB9A (0.49) VCPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL9129696 0.83 APP (0.54) VCPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7202454 0.83 MAPT (0.46) VCPRAB9ANPC1ALDH1A1SMN1; SMN2

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 VCP 3297/4885RAB9A 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.