SCHEMBL6502545

SCHEMBL6502545

O=C1N=C(NC2CCCCCC2)SC1CC(=O)N1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 3/20 0.47
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43
GRM7 Q14831 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
PKM P14618 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
SCHEMBL6500660 1.00 TSHR (0.53) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL6506436 1.00 TSHR (0.53) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL6426935 0.95 SMN1; SMN2 (0.51) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1605788 0.87 TSHR (0.46) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL6507627 0.86 GRM7 (0.46) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL6428159 0.86 GRM7 (0.46) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL6428309 0.84 GRM7 (0.46) TSHRSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL6426470 0.84 ALDH1A1 (0.41) TSHRSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL6427597 0.83 ALDH1A1 (0.47) TSHRSMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL6507694 0.83 ALDH1A1 (0.46) SMN1; SMN2POLBALDH1A1KDM4EMEN1

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 TSHR 2078/4885SMN1; SMN2 3733/4885NPC1 277/4885

“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.