SCHEMBL18355017

SCHEMBL18355017

Cc1ccc(-c2csc(NC(=O)c3cc4c(cc3F)COB4O)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.51
MEN1 O00255 8/20 0.51
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 2/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 6/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
THRB P10828 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
USP2 O75604 2/20 0.47
GALR3 O60755 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL18354787 0.89 MAPT (0.49) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL18354253 0.85 NPC1 (0.49) KMT2AMEN1MAPTALDH1A1HSD17B10
SCHEMBL18355042 0.84 POLB (0.53) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL18354542 0.76 SMN1; SMN2 (0.51) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL18360529 0.75 RAB9A (0.54) KMT2AMEN1MAPTALDH1A1HSD17B10
SCHEMBL18360500 0.74 KDM4E (0.55) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL18354781 0.73 NPC1 (0.49) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL18354114 0.73 CA1 (0.38) KMT2AMAPTLMNA
SCHEMBL16073080 0.72 KDM4E (0.62) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL18354248 0.72 PPARG (0.46) KMT2AALDH1A1POLBHSD17B10LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000133-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (SE) 2017-01-05 US disclosed
US-20170000133-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (SE) 2017-01-05 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-20170000133-A1 BENZOXABOROLE FUNGICIDES CYP4X1, BROX, CYP1B1 KMT2A 2550/4885MEN1 2465/4885MAPT 2010/4885

“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.