SCHEMBL17461844

SCHEMBL17461844

C=C(C)c1ccc2c(c1)c1cc(NC(C)=O)ccc1n2CCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.56
▸ NPC1 O15118 2/20 0.55
▸ MAPT P10636 7/20 0.51
▸ LMNA P02545 5/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CNR2 P34972 2/20 0.45
▸ RORC P51449 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ USP2 O75604 1/20 0.42
▸ NPY5R Q15761 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RECQL P46063 1/20 0.41

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
SCHEMBL16099170 0.91 NPSR1 (0.60) NPSR1NPC1MAPTLMNAKDM4E
SCHEMBL17461866 0.82 NPC1 (0.64) NPC1MAPTLMNAKDM4EHPGD
SCHEMBL15848966 0.79 HPGD (0.67) NPC1MAPTLMNAKDM4EHPGD
SCHEMBL7726215 0.78 NPSR1 (0.86) NPSR1NPC1MAPTLMNAKDM4E
SCHEMBL17461841 0.78 HPGD (0.57) NPC1MAPTLMNAKDM4EHPGD
SCHEMBL17461867 0.78 HPGD (0.51) NPSR1NPC1MAPTLMNAKDM4E
SCHEMBL17461833 0.78 NPC1 (0.59) NPC1MAPTLMNAKDM4EHPGD
SCHEMBL17461825 0.74 HPGD (0.53) NPC1MAPTLMNAKDM4EHPGD
SCHEMBL17461839 0.74 HPGD (0.53) NPC1MAPTLMNAKDM4EHPGD
SCHEMBL16099050 0.74 HPGD (0.76) NPC1MAPTLMNAKDM4EHPGD

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-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 — — 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-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS AR, KLK3, BRDT NPSR1 1403/4885NPC1 2157/4885MAPT 3324/4885

“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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