SCHEMBL1486985

SCHEMBL1486985

O=C(NCc1ccccc1)N1CC=Nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.48
BCHE P06276 1/20 0.47
HRH3 Q9Y5N1 2/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CACNA1G O43497 2/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ASAH1 Q13510 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA5 P08648 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
SCHEMBL1486954 0.79 SMN1; SMN2 (0.51) P2RX4BCHEMAPTKDM4ETP53
SCHEMBL2904169 0.78 ALDH1A1 (0.33) MEN1KMT2ANPSR1TP53
SCHEMBL1867242 0.70 NPC1 (0.62) MAPTCACNA1GCACNA1HCACNA1IMEN1
SCHEMBL8163089 0.68 ITGB1 (0.56) P2RX4HRH3MAPTKDM4EMEN1
SCHEMBL4865168 0.68 TP53 (0.71) MAPTTP53
SCHEMBL4235379 0.67 P2RX4 (0.66) P2RX4BCHEMAPTKDM4ECACNA1G
SCHEMBL27749322 0.67 KDM4E (0.45) P2RX4BCHEHRH3KDM4EMEN1
SCHEMBL4197501 0.65 KDM4E (0.69) HRH3KDM4EMEN1KMT2ANPSR1
SCHEMBL5800630 0.65 KDM4E (0.69) HRH3KDM4EMEN1KMT2ANPSR1
SCHEMBL31202624 0.65 CYP1A2 (0.42) HRH3MAPTMEN1KMT2A

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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 P2RX4 4689/4885BCHE 1853/4885HRH3 444/4885

“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.