SCHEMBL6426935

SCHEMBL6426935

O=C1N=C(NC2CCCCCC2)SC1CC(=O)N1CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TSHR P16473 5/20 0.46
LMNA P02545 3/20 0.45
CYP3A4 P08684 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NOTUM Q6P988 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL6502545 0.95 TSHR (0.53) SMN1; SMN2NPC1RAB9ATSHRMAPT
SCHEMBL6500660 0.95 TSHR (0.53) SMN1; SMN2NPC1RAB9ATSHRMAPT
SCHEMBL6506436 0.95 TSHR (0.53) SMN1; SMN2NPC1RAB9ATSHRMAPT
SCHEMBL6427188 0.85 ALDH1A1 (0.57) SMN1; SMN2TSHRLMNACYP3A4MAPT
SCHEMBL6426510 0.85 ALDH1A1 (0.57) SMN1; SMN2TSHRLMNACYP3A4MAPT
SCHEMBL6393517 0.84 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9ALMNACYP3A4
SCHEMBL6507694 0.83 ALDH1A1 (0.46) SMN1; SMN2LMNAMAPTALDH1A1KMT2A
SCHEMBL1605788 0.82 TSHR (0.46) SMN1; SMN2NPC1RAB9ATSHRLMNA
SCHEMBL6507627 0.82 GRM7 (0.46) SMN1; SMN2NPC1RAB9ATSHRMAPT
SCHEMBL6428159 0.82 GRM7 (0.46) SMN1; SMN2NPC1RAB9ATSHRMAPT

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 3 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
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 SMN1; SMN2 3733/4885NPC1 277/4885RAB9A 2649/4885

“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.