SCHEMBL6429624

SCHEMBL6429624

CCCCN(C(=O)CC1SC(NCC2CCCCC2)=NC1=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GPR88 Q9GZN0 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 2/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL6386580 0.91 ATM (0.37) TP53GPR88ATMALDH1A1L3MBTL1
SCHEMBL6428801 0.87 NPC1 (0.42) TP53SMN1; SMN2NPC1JAK2RAB9A
SCHEMBL6428045 0.85 PKM (0.40) SMN1; SMN2CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL6393753 0.78 SLC6A2 (0.35) ALDH1A1L3MBTL1CYP2C19LMNANPSR1
SCHEMBL13121967 0.78 KMT2A (0.33) NPC1RAB9ACHRM2CHRM1CHRM3
SCHEMBL1605611 0.77 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1LMNAMAPTNPSR1
SCHEMBL6427997 0.77 PKM (0.40) TP53SMN1; SMN2ATMALDH1A1L3MBTL1
SCHEMBL6394557 0.76 L3MBTL1 (0.38) NPC1RAB9AATMALDH1A1L3MBTL1
SCHEMBL1605522 0.75 KDM4C (0.38) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL6388957 0.74 EPHX2 (0.40) ALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO 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 TP53 4022/4885SMN1; 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.