SCHEMBL4774542

SCHEMBL4774542

CN(C)c1nc(-c2ccccc2F)[nH]c(=O)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
PDE10A Q9Y233 1/20 0.40
PPARG P37231 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
MGAM O43451 1/20 0.39

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
SCHEMBL8347394 0.81 KMT2A (0.61) HTTMEN1KMT2AALDH1A1HPGD
SCHEMBL4774535 0.81 ALDH1A1 (0.43) HTTMEN1KMT2AALDH1A1HPGD
SCHEMBL4767221 0.71 HPGD (0.47) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL6440793 0.69 XDH (0.66) HTTMEN1KMT2AALDH1A1HPGD
SCHEMBL11629965 0.69 GUCY1B2 (0.48) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL4712040 0.66 GUSB (0.68) HTTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10697442 0.66 ALDH1A1 (0.49) HTTMEN1KMT2AALDH1A1HPGD
SCHEMBL6255073 0.66 ADORA2A (0.49) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL28843463 0.66 POLB (0.54) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8345655 0.65 MAPT (0.42) HTTMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549316-A4 INHIBITORS OF TFGbeta SCIOS INC (US) 2008-04-09 EP disclosed
EP-1549316-A1 INHIBITORS OF TFG&bgr; SCIOS INC. (US) 2005-07-06 EP disclosed
US-20040132730-A1 Inhibitors of TGFbeta SCIOS, INC. 2004-07-08 US disclosed
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 WO disclosed
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 WO 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-20040132730-A1 Inhibitors of TGFbeta TGFBR1, TGFBR2, TGFB1 HTT 4372/4885MEN1 2967/4885KMT2A 2706/4885

“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.