SCHEMBL16348456

SCHEMBL16348456

Nc1nc(N)c(C(=O)/N=C2\NCC3(CCC(C(=O)CCc4c[nH]c5ccccc45)CC3)N2)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MTNR1A P48039 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
KMT2A Q03164 2/20 0.33
MC4R P32245 3/20 0.33
MC5R P33032 3/20 0.33
MC3R P41968 3/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GLA P06280 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
SCHEMBL1586835 0.87 KMT2A (0.47) HPGDMAPTALDH1A1GAAACHE
SCHEMBL19392739 0.78 GLA (0.47) HPGDMAPTALDH1A1GAAKMT2A
SCHEMBL19392680 0.77 TP53 (0.41) MAPTACHEGLA
SCHEMBL12743956 0.76 PKM (0.46)
SCHEMBL1586754 0.76 PKM (0.46)
SCHEMBL16348460 0.76 SCNN1A (0.39) HPGDHTTMAPTALDH1A1GAA
SCHEMBL19392662 0.76 TP53 (0.39) HTTMAPTALDH1A1ACHEKMT2A
SCHEMBL2126441 0.76 MEN1 (0.40) HTTMAPTALDH1A1ACHEKMT2A
SCHEMBL12215904 0.75 MAPT (0.39) HTTMAPTALDH1A1GAAACHE
SCHEMBL19392789 0.74 SOS1 (0.40) GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 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-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 HPGD 855/4885HTT 2063/4885RECQL 583/4885

“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.