SCHEMBL7203671

SCHEMBL7203671

CCc1ccc(C2=NNC(c3cccs3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KDM4E B2RXH2 4/20 0.49
MAPT P10636 3/20 0.49
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7206666 0.90 KMT2A (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7206136 0.88 KDM4E (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7202050 0.87 MEN1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7207276 0.86 MEN1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7204274 0.86 MEN1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL27760026 0.85 MEN1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7199122 0.84 MEN1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7204199 0.84 MAPT (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7203726 0.83 MEN1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7203205 0.82 MAPT (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1

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 ALDH1A1 1476/4885MEN1 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.