SCHEMBL7202454

SCHEMBL7202454

CC(C)(C)c1ccc(C(=O)C#Cc2cccs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
HDAC1 Q13547 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.40
SRD5A2 P31213 1/20 0.39
TP53 P04637 2/20 0.39
VCP P55072 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 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
SCHEMBL7200317 0.87 CES2 (0.44) RAB9ASRD5A2
SCHEMBL7201310 0.83 VCP (0.57) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7200606 0.81 APP (0.49) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7202747 0.81 HSP90AA1 (0.49) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7204585 0.80 APP (0.51) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL7203532 0.80 MAPT (0.44) MAPTMEN1KMT2ASMN1; SMN2HDAC1
SCHEMBL7203523 0.80 RAB9A (0.49) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7204230 0.80 APP (0.47) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL7200084 0.79 RAB9A (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7205970 0.79 RAB9A (0.41) MAPTMEN1KMT2AALDH1A1SMN1; 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 MAPT 4683/4885MEN1 4820/4885KMT2A 3922/4885

“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.