SCHEMBL3476253

SCHEMBL3476253

O=C(Nc1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1)N1CCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
BAZ2B Q9UIF8 2/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
ENPP2 Q13822 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
THRB P10828 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3477282 0.99 RAB9A (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL3477340 0.92 HRH4 (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL3477583 0.88 LMNA (0.41) ALDH1A1SMN1; SMN2POLBBAZ2BLMNA
SCHEMBL3477811 0.86 KDM4E (0.44) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL3477116 0.84 MAPK1 (0.43) POLBBAZ2BLMNAMAPTTDP1
SCHEMBL3477657 0.83 HTT (0.44) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL3477114 0.83 MAPT (0.51) ALDH1A1SMN1; SMN2LMNAMAPTSIRT2
SCHEMBL3477440 0.83 LMNA (0.43) ALDH1A1SMN1; SMN2LMNAMAPTTDP1
SCHEMBL3477999 0.82 EPHX2 (0.45) RAB9ANPC1ALDH1A1TDP1
SCHEMBL3476315 0.81 CCKBR (0.39) ALDH1A1SMN1; SMN2POLBLMNAMAPT

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-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-15 US 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 1995/4885NPC1 1185/4885ALDH1A1 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.