SCHEMBL7204957

SCHEMBL7204957

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.53
RAB9A P51151 10/20 0.46
NPC1 O15118 9/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
GRM5 P41594 1/20 0.40
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL7201310 0.95 VCP (0.57) VCPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7845479 0.89 VCP (0.50) VCPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7205479 0.88 VCP (0.44) VCPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7207209 0.85 APP (0.43) VCPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7200606 0.81 APP (0.49) VCPRAB9ANPC1ALDH1A1TP53
SCHEMBL7202747 0.81 HSP90AA1 (0.49) VCPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7203532 0.80 MAPT (0.44) VCPSMN1; SMN2GRM5MAPTKMT2A
SCHEMBL7203523 0.80 RAB9A (0.49) VCPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7204585 0.80 APP (0.51) VCPRAB9ANPC1ALDH1A1HPGD
SCHEMBL7204230 0.80 APP (0.47) 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 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 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.