SCHEMBL15034656

SCHEMBL15034656

Cc1c([N+](=O)[O-])cccc1C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.67
TSHR P16473 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 2/20 0.49
MAPK1 P28482 2/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 1/20 0.46
GPR35 Q9HC97 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL30800293 0.83 TDP1 (0.64) TDP1TSHRSMN1; SMN2NPC1MAPK1
SCHEMBL27873825 0.83 TDP1 (0.64) TDP1TSHRSMN1; SMN2NPC1MAPK1
SCHEMBL2431059 0.83 TDP1 (0.64) TDP1TSHRSMN1; SMN2NPC1MAPK1
SCHEMBL419987 0.82 NPSR1 (0.59) TDP1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL30486812 0.82 NPSR1 (0.59) TDP1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL472112 0.81 TDP1 (1.00) TDP1TSHRSMN1; SMN2NPC1MAPK1
SCHEMBL10979000 0.81 TSHR (0.58) TDP1TSHRSMN1; SMN2NPC1MAPK1
SCHEMBL11529022 0.81 TDP1 (0.50) TDP1TSHRSMN1; SMN2NPC1MAPK1
SCHEMBL2960078 0.79 TDP1 (0.48) TDP1TSHRSMN1; SMN2NPC1MAPK1
SCHEMBL17307266 0.79 TDP1 (0.48) TDP1TSHRSMN1; SMN2HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-08-21 US disclosed
US-8778941-B2 TRPM8 antagonists and their use in treatments AMGEN INC. (US) 2014-07-15 US disclosed
US-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2013-06-20 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 (2 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-20130158034-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 TDP1 2636/4885TSHR 2647/4885SMN1; SMN2 837/4885
US-20140235642-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 TDP1 2636/4885TSHR 2647/4885SMN1; SMN2 837/4885

“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.