SCHEMBL348371

SCHEMBL348371

CCCCOC(=O)c1sc(NCC(C)N)nc1C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
ALDH1A1 P00352 7/20 0.48
HPGD P15428 4/20 0.48
KDM4E B2RXH2 6/20 0.45
NPC1 O15118 4/20 0.44
MAPT P10636 4/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.42
DHODH Q02127 2/20 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
SCHEMBL1911618 0.89 ALDH1A1 (0.60) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL28795084 0.89 ALDH1A1 (0.60) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL1911616 0.89 ALDH1A1 (0.60) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL348372 0.81 ALDH1A1 (0.44) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL348370 0.81 ALDH1A1 (0.44) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL347225 0.78 NPC1 (0.53) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL28342513 0.77 ALDH1A1 (0.62) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL3046343 0.69 ALDH1A1 (0.70) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL880254 0.69 TSHR (0.59) TSHRALDH1A1HPGDKDM4ENPC1
SCHEMBL1911617 0.69 ALDH1A1 (0.60) TSHRALDH1A1HPGDKDM4ENPC1

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-8318949-B2 Organic compounds NOVARTIS AG (CH) 2012-11-27 US disclosed
US-20120014906-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-19 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-20120014906-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 TSHR 4191/4885ALDH1A1 451/4885HPGD 344/4885

“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.