SCHEMBL4939716

SCHEMBL4939716

COC(=O)c1nc2ccc([N+](=O)[O-])cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 1/20 0.59
PDK1 Q15118 1/20 0.58
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 3/20 0.57
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.55
STAT1 P42224 1/20 0.55
ACP1 P24666 1/20 0.55
CA2 P00918 1/20 0.54
CA5A P35218 1/20 0.54
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MCL1 Q07820 1/20 0.52

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
SCHEMBL2380048 0.86 SMN1; SMN2 (0.59) DYRK1ASMN1; SMN2HTTPDK1ALDH1A1
SCHEMBL9798029 0.85 DYRK1A (0.65) DYRK1ASMN1; SMN2HTTPDK1ALDH1A1
SCHEMBL4940843 0.83 SMN1; SMN2 (0.66) DYRK1ASMN1; SMN2HTTPDK1ALDH1A1
SCHEMBL2379405 0.82 ALDH1A1 (0.64) DYRK1ASMN1; SMN2HTTPDK1ALDH1A1
SCHEMBL4936252 0.80 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1KMT2ACYP3A4MAPT
SCHEMBL16747337 0.79 DYRK1A (0.77) DYRK1ASMN1; SMN2HTTALDH1A1KMT2A
SCHEMBL730623 0.79 ALDH1A1 (0.65) DYRK1AALDH1A1CYP3A4MAOB
SCHEMBL23529339 0.78 MAPT (0.66) DYRK1ASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL20832544 0.77 ALDH1A1 (0.67) SMN1; SMN2HTTALDH1A1KMT2ATSHR
SCHEMBL20899481 0.77 ALDH1A1 (0.63) DYRK1ASMN1; SMN2ALDH1A1CYP3A4MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009014674-A1 HETEROCYCLYLAMIDES AS GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO 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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 DYRK1A 4818/4885SMN1; SMN2 4591/4885HTT 3216/4885

“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.