SCHEMBL3586265

SCHEMBL3586265

Cc1c(C(=O)N(C)Cc2ccccc2F)[nH]c(C(N)=O)c1S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
FFAR2 O15552 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
LIMK2 P53671 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
KAT6A Q92794 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
SCHEMBL3592623 0.91 MEN1 (0.43) MEN1KMT2AATMTDP1RIPK1
SCHEMBL3587000 0.91 MEN1 (0.40) HTR6MEN1KMT2AFFAR2ALDH1A1
SCHEMBL3586731 0.89 HTR6 (0.37) HTR6FFAR2RIPK1ALDH1A1HPGD
SCHEMBL3589677 0.89 MEN1 (0.39) MEN1KMT2AATMTDP1RIPK1
SCHEMBL3588435 0.88 KMT2A (0.36) MEN1KMT2AATMTDP1RIPK1
SCHEMBL3586766 0.87 KMT2A (0.38) MEN1KMT2AATMTDP1RIPK1
SCHEMBL3587819 0.86 CRHBP (0.37) HTR6FFAR2ALDH1A1HPGD
SCHEMBL3585374 0.83 NR3C1 (0.38) MEN1KMT2AATMFFAR2ALDH1A1
SCHEMBL3581876 0.83 NR1H2 (0.41) MEN1KMT2AATMHPGD
SCHEMBL3582557 0.81 MEN1 (0.41) HTR6MEN1KMT2AFFAR2LIMK2

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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US 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 HTR6 4672/4885MEN1 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.