SCHEMBL3477008

SCHEMBL3477008

O=C(Nc1ccccn1)Nc1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.49
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
TSHR P16473 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 6/20 0.46
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SORT1 Q99523 1/20 0.39
LMNA P02545 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
SCHEMBL3476812 0.86 NPC1 (0.50) RAB9AALDH1A1KDM4EGLATSHR
SCHEMBL3477114 0.85 MAPT (0.51) ALDH1A1KDM4EHTTL3MBTL1MEN1
SCHEMBL3477796 0.84 TSHR (0.49) RAB9AALDH1A1KDM4ETSHRNPC1
SCHEMBL3477583 0.82 LMNA (0.41) GAAALDH1A1HTTL3MBTL1POLB
SCHEMBL3476315 0.81 CCKBR (0.39) ALDH1A1TSHRL3MBTL1POLBMEN1
SCHEMBL3477116 0.81 MAPK1 (0.43) GAATSHRPOLBRXFP1KMT2A
SCHEMBL3476757 0.80 NAMPT (0.52) GAAALDH1A1HTTMEN1KMT2A
SCHEMBL3477282 0.80 RAB9A (0.44) RAB9AGAAALDH1A1NPC1POLB
SCHEMBL3477657 0.80 HTT (0.44) RAB9AALDH1A1KDM4EHTTNPC1
SCHEMBL3477440 0.80 LMNA (0.43) GAAALDH1A1RXFP1KMT2ASMN1; 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-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 RAB9A 1995/4885GAA 563/4885ALDH1A1 1178/4885

“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.