SCHEMBL3578424

SCHEMBL3578424

CC(C)c1c(C(=O)N(C)Cc2ccccc2F)[nH]c(C(N)=O)c1S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 2/20 0.41
TDP1 Q9NUW8 1/20 0.38
RIPK1 Q13546 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TAS2R14 Q9NYV8 2/20 0.36
GAA P10253 2/20 0.36
MAOA P21397 1/20 0.34
CASP3 P42574 1/20 0.34
LIMK2 P53671 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL3592689 0.89 NAMPT (0.34) LIPEMEN1KMT2AATM
SCHEMBL3579136 0.89 MAP2 (0.34) LIPEMEN1KMT2AATMGAA
SCHEMBL3592623 0.87 MEN1 (0.43) LIPEMEN1KMT2AATMTDP1
SCHEMBL3582278 0.87 LIMK2 (0.40) LIPEMEN1KMT2AALDH1A1LIMK2
SCHEMBL3586571 0.86 FFAR2 (0.33) LIPELIMK2
SCHEMBL3579005 0.86 FFAR2 (0.36)
SCHEMBL3585214 0.85 FFAR2 (0.34) LIPEMEN1KMT2AALDH1A1
SCHEMBL3587755 0.84 FFAR2 (0.33)
SCHEMBL3574231 0.83 CRHBP (0.40) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL3586340 0.83 NAMPT (0.35) MEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US claimed
EP-2076492-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-07-08 EP claimed
WO-2008054605-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-05-08 WO claimed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E LIPE 2841/4885MEN1 4584/4885KMT2A 1816/4885

“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.