SCHEMBL3477356

SCHEMBL3477356

O=C(Nc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.46
KAT6A Q92794 4/20 0.46
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44

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
SCHEMBL3477332 0.91 GPR27 (0.45) LMNATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3476867 0.86 TUBB4A (0.47) KCNMA1L3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL3476834 0.84 KAT6A (0.46) KAT6AL3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL3477240 0.84 GRIK1 (0.50) LMNAL3MBTL1TUBB4ATUBBTUBA3C
SCHEMBL3476905 0.81 NAMPT (0.47) KCNMA1LMNATUBB4ATUBBTUBA3C
SCHEMBL3477517 0.81 KDR (0.51) LMNANPSR1L3MBTL1TUBB4ATUBB
SCHEMBL3477387 0.80 KDR (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3476614 0.80 CYP1A2 (0.46) KCNMA1NPSR1L3MBTL1TUBB4ATUBB
SCHEMBL3477690 0.80 TUBB4A (0.43) NPSR1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3478011 0.80 TUBB4A (0.48) LMNATUBB4ATUBBTUBA3CTUBA1B

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-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-15 US claimed
EP-1898927-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 EP claimed
WO-2007002481-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 WO 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 KCNMA1 4137/4885KAT6A 1100/4885LMNA 3689/4885

“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.