SCHEMBL12445323

SCHEMBL12445323

CC(C)(C)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.51
NQO2 P16083 1/20 0.49
KMT2A Q03164 10/20 0.46
PKM P14618 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 9/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
POLB P06746 3/20 0.46
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
TNNC1 P63316 1/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
THRB P10828 1/20 0.44
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
BRAF P15056 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
SCHEMBL3361349 0.82 MAPT (0.64) MAPTNQO2KMT2APKMMEN1
SCHEMBL13051335 0.81 MAPT (0.59) MAPTNQO2KMT2ANPSR1MEN1
SCHEMBL2615714 0.77 MAPT (0.55) MAPTNQO2KMT2APKMMEN1
SCHEMBL27632460 0.75 MAPT (0.57) MAPTNQO2KMT2APKMMEN1
SCHEMBL29273189 0.75 KMT2A (0.60) MAPTNQO2KMT2APKMMEN1
SCHEMBL24089649 0.74 NQO2 (0.47) NQO2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL799940 0.74 ALDH1A1 (0.41) MAPTNQO2KMT2APKMNPSR1
SCHEMBL6734270 0.74 MAPT (0.55) MAPTNQO2KMT2APKMMEN1
SCHEMBL19926009 0.74 MAPT (0.55) MAPTNQO2KMT2APKMMEN1
SCHEMBL6545303 0.73 MAPT (0.68) MAPTKMT2APKMNPSR1MEN1

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-8895497-B2 Cathepsin S inhibitors DCB-USA, LLC (US) 2014-11-25 US disclosed
US-20110166141-A1 CATHEPSIN S INHIBITORS DCB-USA, LLC (US) 2011-07-07 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-20110166141-A1 CATHEPSIN S INHIBITORS CTSS, CTSV, CTSB MAPT 3934/4885NQO2 1118/4885KMT2A 3425/4885

“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.