SCHEMBL3609243

SCHEMBL3609243

NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)NC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
BRAF P15056 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TP53 P04637 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
BRD4 O60885 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3602148 0.99 HTT (0.46) HTTMAPK1TDP1BRAFSIRT1
SCHEMBL3616584 0.98 TDP1 (0.42) HTTMAPK1TDP1BRAFSIRT1
SCHEMBL2348809 0.95 BRAF (0.46) HTTMAPK1TDP1BRAFSIRT1
SCHEMBL3615257 0.87 KMT2A (0.48) HTTMAPK1TDP1ALDH1A1TP53
SCHEMBL2351037 0.86 PTGS2 (0.49) MAPK1TDP1BRAFSIRT1MAPT
SCHEMBL2344579 0.85 PTGS2 (0.51) MAPK1TDP1BRAFSIRT1ALDH1A1
SCHEMBL2347102 0.84 MAP2 (0.48) MAPK1TDP1BRAFSIRT1MAPT
SCHEMBL3616823 0.83 HTT (0.39) HTTMAPK1TDP1ALDH1A1TP53
SCHEMBL3605244 0.83 ALDH1A1 (0.49) HTTTDP1ALDH1A1TP53LMNA
SCHEMBL3608352 0.82 HTT (0.41) HTTMAPK1TDP1ALDH1A1TP53

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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US claimed
EP-1899340-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2008-03-19 EP claimed
WO-2007002368-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2007-01-04 WO claimed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT HTT 2637/4885MAPK1 3023/4885TDP1 90/4885

“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.