SCHEMBL3603153

SCHEMBL3603153

O=C(NCc1ccn[nH]1)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 2/20 0.38
GFER P55789 1/20 0.38
GAA P10253 1/20 0.38
NAMPT P43490 4/20 0.37
CFTR P13569 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL3607172 0.85 NAMPT (0.48) LMNAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL3602176 0.83 LMNA (0.43) LMNAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL3596925 0.83 NPC1 (0.52) LMNAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL3612126 0.82 CNR1 (0.56) LMNAMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL3607440 0.82 HSD17B10 (0.47) LMNAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL3617333 0.81 LMNA (0.43) LMNAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL3603163 0.81 LMNA (0.43) LMNAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL3620990 0.81 LMNA (0.43) LMNAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL3609888 0.81 HSD17B10 (0.48) LMNAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL3613862 0.81 LMNA (0.48) LMNAMAPTTDP1ALDH1A1SMN1; 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 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 LMNA 3908/4885MAPT 716/4885TDP1 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.