SCHEMBL4743474

SCHEMBL4743474

Cc1c([N+](=O)[O-])ccc2nc(C#N)sc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PSMB8 P28062 1/20 0.43
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
GSK3A P49840 4/20 0.38
GSK3B P49841 4/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
HPGD P15428 2/20 0.36
GRM6 O15303 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36

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
SCHEMBL3748576 0.78 MAPT (0.48) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL3750501 0.78 ALDH1A1 (0.72) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL27566824 0.75 KMT2A (0.53) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL1046142 0.74 PSMB8 (0.43) MAPTALDH1A1PSMB8POLBMEN1
Dimethylamine SCHEMBL3754638 0.73 MAPT (0.41) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL19190282 0.72 PSMB8 (0.46) ALDH1A1PSMB8MEN1KMT2ATDP1
SCHEMBL6068173 0.71 RAB9A (0.53) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL27697763 0.70 MAPT (0.40) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL5306398 0.69 ALDH1A1 (0.40) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL6583629 0.69 GRIA1 (0.39) MAPTALDH1A1PSMB8POLBTDP1

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-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 MAPT 2403/4885ALDH1A1 983/4885PSMB8 1981/4885

“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.