SCHEMBL6425973

SCHEMBL6425973

O=C(NCC1SC(N2CCCCCC2)=NC1=O)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP2C19 P33261 1/20 0.47
BCL3 P20749 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 2/20 0.46
HTT P42858 2/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 2/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.44
MCL1 Q07820 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL6506099 0.74 RPS6KB1 (0.40) KMT2AALDH1A1BCL3ATMPOLB
SCHEMBL6505267 0.68 ATM (0.41) ALDH1A1BCL3ATMRAB9AMAPT
SCHEMBL6501483 0.68 TSHR (0.55) KMT2AMEN1ALDH1A1CYP2C19L3MBTL1
SCHEMBL6427337 0.67 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1CYP2C19L3MBTL1
SCHEMBL6430684 0.67 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1CYP2C19L3MBTL1
SCHEMBL29857237 0.67 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL21348801 0.66 DPP4 (0.58) BCL3
SCHEMBL17319219 0.66 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1CYP2C19L3MBTL1
SCHEMBL6506802 0.65 CYP2C19 (0.51) KMT2AMEN1ALDH1A1CYP2C19L3MBTL1
SCHEMBL12181337 0.65 BCL3 (0.66) KMT2AMEN1BCL3RAB9ANPC1

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 KMT2A 3213/4885MEN1 979/4885ALDH1A1 67/4885

“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.