SCHEMBL17154109

SCHEMBL17154109

O=C(N[C@@H](CO)C(=O)O)c1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 6/20 0.52
FAAH O00519 3/20 0.51
SMYD3 Q9H7B4 2/20 0.49
PADI4 Q9UM07 1/20 0.48
PADI2 Q9Y2J8 1/20 0.48
CNR2 P34972 2/20 0.47
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
DAGLA Q9Y4D2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
MAOB P27338 1/20 0.45
ADORA2A P29274 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL17137472 1.00 PIN1 (0.52) PIN1FAAHSMYD3PADI4PADI2
SCHEMBL17137470 1.00 PIN1 (0.52) PIN1FAAHSMYD3PADI4PADI2
SCHEMBL6830451 0.86 PIN1 (0.49) PIN1FAAHSMYD3PADI4PADI2
SCHEMBL25244025 0.85 PIN1 (0.50) PIN1FAAHSMYD3PADI4PADI2
SCHEMBL29414312 0.85 PIN1 (0.50) PIN1FAAHSMYD3PADI4PADI2
SCHEMBL7347037 0.85 ALDH1A1 (0.56) PIN1FAAHSMYD3PADI4PADI2
SCHEMBL25242832 0.85 PIN1 (0.50) PIN1FAAHSMYD3PADI4PADI2
SCHEMBL29414310 0.85 PIN1 (0.50) PIN1FAAHSMYD3PADI4PADI2
SCHEMBL7347042 0.85 ALDH1A1 (0.56) PIN1FAAHSMYD3PADI4PADI2
SCHEMBL25289343 0.82 P2RX1 (0.52) PIN1FAAHSMYD3PADI4PADI2

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-20150284335-A1 Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 US disclosed
US-20150284335-A1 Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 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-20150284335-A1 Benzoimidazoles as prolyl hydroxylase inhibitors EGLN3, EGLN2, P4HA1 PIN1 83/4885FAAH 396/4885SMYD3 1953/4885

“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.