SCHEMBL3452397

SCHEMBL3452397

O=C(O)c1ccccc1CN(c1nc(-c2ccccc2)c(-c2ccccc2)s1)C1CCCC1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS2 P35354 4/20 0.37
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SLC6A9 P48067 1/20 0.34
SLC6A5 Q9Y345 1/20 0.34
GCGR P47871 1/20 0.34
GIPR P48546 1/20 0.34
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
FOLH1 Q04609 1/20 0.33
ABCC1 P33527 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 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
SCHEMBL13109529 0.99 MEN1 (0.42) MEN1POLBKMT2APTGS2DHODH
SCHEMBL3452395 0.90 KMT2A (0.40) MEN1POLBKMT2APTGS2ALDH1A1
SCHEMBL3452516 0.84 MEN1 (0.45) MEN1POLBKMT2APTGS2SLC6A9
SCHEMBL3452150 0.83 MEN1 (0.46) MEN1POLBKMT2APTGS2ALDH1A1
SCHEMBL13109531 0.82 MEN1 (0.45) MEN1POLBKMT2APTGS2SLC6A9
SCHEMBL5159959 0.82 MEN1 (0.47) MEN1POLBKMT2APTGS2ALDH1A1
SCHEMBL3452147 0.78 KMT2A (0.45) MEN1POLBKMT2APTGS2HPGD
SCHEMBL3452511 0.76 MEN1 (0.43) MEN1POLBKMT2APTGS2FFAR4
SCHEMBL3462620 0.74 MEN1 (0.41) MEN1POLBKMT2APTGS2DHODH
SCHEMBL13109533 0.73 MEN1 (0.41) MEN1POLBKMT2APTGS2DHODH

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-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R MEN1 1990/4885POLB 4418/4885KMT2A 2090/4885

“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.