SCHEMBL5913331

SCHEMBL5913331

Cc1c(CN(C)C)cccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
TSHR P16473 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 1/20 0.44
SLC6A4 P31645 1/20 0.44
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR35 Q9HC97 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL30524090 0.84 ALDH1A1 (0.62) TSHRALDH1A1HSD17B10SLC6A4KMT2A
SCHEMBL250143 0.84 ALDH1A1 (0.62) TSHRALDH1A1HSD17B10SLC6A4KMT2A
SCHEMBL14641737 0.82 TDP1 (0.69) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL248469 0.81 SLC6A4 (0.49) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL27478758 0.81 TSHR (0.54) TDP1TSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL3841885 0.79 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL715298 0.79 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL1067609 0.79 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10902775 0.79 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6205360 0.79 TDP1 (0.64) TDP1TSHRSMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-10-05 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-20060223826-A1 Indole derivatives as somatostatin agonists or antagonists SSTR1, SSTR3, NPY1R TDP1 3651/4885TSHR 22/4885SMN1; SMN2 4110/4885

“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.