SCHEMBL3596925

SCHEMBL3596925

O=C(NCc1ccccn1)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 1/20 0.50
USP2 O75604 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
HPGD P15428 1/20 0.47
YWHAG P61981 1/20 0.47
RAB9A P51151 2/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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) NPC1TDP1KMT2AMEN1MAPT
SCHEMBL3602176 0.86 LMNA (0.43) NPC1TDP1KMT2AMEN1MAPT
SCHEMBL3603163 0.86 LMNA (0.43) NPC1TDP1KMT2AMEN1MAPT
SCHEMBL3612885 0.85 LMNA (0.43) NPC1TDP1KMT2AMEN1MAPT
SCHEMBL3607172 0.84 NAMPT (0.48) TDP1KMT2AMEN1MAPTALDH1A1
SCHEMBL3620990 0.84 LMNA (0.43) TDP1KMT2AMEN1MAPTALDH1A1
SCHEMBL3609838 0.84 SMN1; SMN2 (0.47) NPC1TDP1KMT2AMEN1MAPT
SCHEMBL3613862 0.84 LMNA (0.48) TDP1KMT2AMAPTALDH1A1LMNA
SCHEMBL3612126 0.83 CNR1 (0.56) KMT2AMEN1MAPTUSP2ALDH1A1
SCHEMBL3603153 0.83 LMNA (0.44) TDP1KMT2AMAPTALDH1A1LMNA

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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US 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 NPC1 1623/4885TDP1 90/4885KMT2A 1067/4885

“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.