SCHEMBL7204950

SCHEMBL7204950

Clc1ccccc1C1=NNC(c2cccs2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
MAPT P10636 4/20 0.64
CA1 P00915 4/20 0.39
CA2 P00918 2/20 0.39
NOS2 P35228 2/20 0.38
NOS3 P29474 1/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
PKM P14618 1/20 0.35
ERBB2 P04626 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL7205418 0.85 MEN1 (0.74) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL7203401 0.83 MAPT (0.57) KDM4EMEN1KMT2AMAPTCA1
SCHEMBL7202346 0.81 MEN1 (0.64) KDM4EMEN1KMT2AMAPTCA1
SCHEMBL7203502 0.80 MEN1 (0.54) KDM4EMEN1KMT2AMAPTCA1
SCHEMBL7200601 0.79 MEN1 (0.65) KDM4EMEN1KMT2AMAPTCA1
SCHEMBL7202753 0.78 KDM4E (0.58) KDM4EMEN1KMT2AMAPTCA1
SCHEMBL7204273 0.78 MEN1 (0.64) KDM4EMEN1KMT2AMAPTCA1
SCHEMBL7203726 0.77 MEN1 (0.53) KDM4EMEN1KMT2AMAPTCA1
SCHEMBL7205979 0.76 MEN1 (0.65) KDM4EMEN1KMT2AMAPTCA1
SCHEMBL7207223 0.75 MAPT (0.57) KDM4EMEN1KMT2AMAPTCA1

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 KDM4E 2628/4885MEN1 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.