SCHEMBL6504720

SCHEMBL6504720

O=C1N=C(NC2CCCCC2)SC1CC(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 2/20 0.50
RECQL P46063 1/20 0.50
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FAAH O00519 1/20 0.44
RAB9A P51151 1/20 0.43
ROCK1 Q13464 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2B P41595 1/20 0.43
MAPK14 Q16539 1/20 0.43
TP53 P04637 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL6428140 1.00 KMT2A (0.50) KMT2AMEN1ALDH1A1GAARECQL
SCHEMBL6428130 0.87 KMT2A (0.49) KMT2AMEN1ALDH1A1GAARECQL
SCHEMBL6502742 0.83 TSHR (0.49) ALDH1A1HTTSMN1; SMN2RAB9ACYP2C19
SCHEMBL6425891 0.83 TSHR (0.49) ALDH1A1HTTSMN1; SMN2RAB9ACYP2C19
SCHEMBL6427136 0.83 TSHR (0.49) ALDH1A1HTTSMN1; SMN2RAB9ACYP2C19
SCHEMBL6501368 0.83 TSHR (0.49) ALDH1A1HTTSMN1; SMN2RAB9ACYP2C19
SCHEMBL6429260 0.83 TSHR (0.49) ALDH1A1HTTSMN1; SMN2RAB9ACYP2C19
SCHEMBL6392819 0.82 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1LMNAHSD17B10
SCHEMBL6507694 0.81 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL6427850 0.81 TSHR (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A

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 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.