SCHEMBL3477557

SCHEMBL3477557

O=C(Nc1cccc(C(F)(F)F)c1)Nc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 3/20 0.51
RAB9A P51151 1/20 0.51
GRIK1 P39086 2/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
NTRK1 P04629 1/20 0.50
CDK19 Q9BWU1 1/20 0.50
IDH2 P48735 2/20 0.48
KDR P35968 2/20 0.47
IDH1 O75874 4/20 0.46
PDGFRB P09619 1/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
XBP1 P17861 1/20 0.46
PAX8 Q06710 1/20 0.46

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
SCHEMBL3477543 0.89 MEN1 (0.52) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL3477517 0.88 KDR (0.51) KMT2AMEN1MAPTHTTRAB9A
SCHEMBL3477690 0.84 TUBB4A (0.43) KMT2AMEN1MAPTRAB9AGRIK1
SCHEMBL3477387 0.84 KDR (0.47) KMT2AMEN1MAPTGRIK1CA12
SCHEMBL3478199 0.83 GRIK1 (0.53) KMT2AMEN1MAPTGRIK1KDR
SCHEMBL3477240 0.80 GRIK1 (0.50) KMT2AMEN1MAPTRAB9AGRIK1
SCHEMBL3475544 0.77 TUBB4A (0.47) KMT2AMEN1MAPTRAB9ACA12
SCHEMBL3477544 0.77 TUBB4A (0.46) KMT2AMEN1MAPTRAB9AGAA
SCHEMBL3476867 0.77 TUBB4A (0.47) KMT2AMEN1MAPTRAB9AKDR
SCHEMBL3476881 0.76 TUBB4A (0.46) KMT2AMEN1MAPTGAANPSR1

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-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-15 US claimed
US-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-15 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-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors RNGTT, RTF1, POLR1E KMT2A 1569/4885MEN1 4419/4885MAPT 1105/4885

“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.