SCHEMBL6139973

SCHEMBL6139973

CSC(=CC(=O)c1ccccc1Br)SC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 9/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HSP90AA1 P07900 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 2/20 0.41
MAOB P27338 1/20 0.40

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
SCHEMBL6218684 0.81 MEN1 (0.58) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL29566671 0.81 MEN1 (0.58) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6219515 0.79 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6218498 0.79 KMT2A (0.56) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6139615 0.79 ALDH1A1 (0.39) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL6139614 0.79 ALDH1A1 (0.39) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL24309773 0.78 KMT2A (0.55) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL3026269 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL5747941 0.77 MEN1 (0.53) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL27201517 0.75 ALDH1A1 (0.51) MEN1KMT2AALDH1A1LMNATP53

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-6844337-B2 1,4-diazabicyclo[3.2.2]nonane-phenylisoxazole derivatives, their preparation and their application in therapeutics SANOFI-SYNTHELABO (FR) 2005-01-18 US disclosed
EP-1289986-B1 1,4-DIAZABICYCLO 3.2.2]NONANE-PHENYLISOXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SYNTHELABO (FR) 2004-04-28 EP disclosed
US-20030114461-A1 1,4-Diazabicyclo[3.2.2]nonane-phenylisoxazole derivatives, preparation and therapeutic use thereof SANOFI (FR) 2003-06-19 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-20030114461-A1 1,4-Diazabicyclo[3.2.2]nonane-phenylisoxazole derivatives, preparation and therapeutic use thereof CYC1, GLRA1, CBR1 MEN1 1537/4885KMT2A 3489/4885ALDH1A1 377/4885

“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.