SCHEMBL9960053

SCHEMBL9960053

O=CC1CCCCN1CCCN(C(=O)c1cccs1)c1nc(-c2ccc3c(c2)OCO3)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.46
▸ TSHR P16473 8/20 0.45
▸ LMNA P02545 5/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 6/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ CPT2 P23786 1/20 0.43
▸ CPT1A P50416 1/20 0.43
▸ KDM4E B2RXH2 6/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 4/20 0.38
▸ USP2 O75604 2/20 0.38

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
SCHEMBL9960048 1.00 SMN1; SMN2 (0.46) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL14748628 0.90 SMN1; SMN2 (0.45) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2830856 0.83 TSHR (0.55) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2828572 0.79 TSHR (0.54) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2826912 0.79 TSHR (0.56) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2826873 0.73 SMN1; SMN2 (0.70) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL4998654 0.73 SMN1; SMN2 (0.51) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL18589275 0.73 SMN1; SMN2 (0.53) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL5001488 0.73 SMN1; SMN2 (0.51) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2829245 0.73 SMN1; SMN2 (0.45) SMN1; SMN2TSHRLMNAHSD17B10OPRM1

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-20140004209-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2014-01-02 — — US disclosed
WO-2012088254-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 — — 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-20140004209-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS BECN1, SQSTM1, ULK1 SMN1; SMN2 4206/4885TSHR 4088/4885LMNA 2513/4885

“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.

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