SCHEMBL3828374

SCHEMBL3828374

CCCCCC(C)(C#N)NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN7 P35236 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CES2 O00748 1/20 0.34
HMGCR P04035 1/20 0.34
EPHX1 P07099 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AKR1B1 P15121 1/20 0.33
LMNA P02545 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL15812482 0.87 ALDH1A1 (0.37) MEN1KMT2AALDH1A1CTSSCTSK
Tert-Butanol SCHEMBL17867548 0.84 ALDH1A1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL17837091 0.82
SCHEMBL13567864 0.80 CTSK (0.44) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL18527058 0.79
SCHEMBL15663547 0.79 ALDH1A1 (0.32) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL17837084 0.78
SCHEMBL15812315 0.76 CTSS (0.30) CTSSCTSK
SCHEMBL18527035 0.75 MEN1 (0.31) MEN1KMT2A
SCHEMBL29138679 0.73 ALDH1A1 (0.47) MEN1MAPTKMT2AATML3MBTL1

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-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 MEN1 2718/4885MAPT 3039/4885KMT2A 1259/4885

“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.