SCHEMBL314658

SCHEMBL314658

COc1ccc([N+](=O)[O-])c(NC[C@@H](C)C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
AKR1C3 P42330 3/20 0.54
AKR1C2 P52895 3/20 0.54
AKR1B10 O60218 1/20 0.54
AKR1B1 P15121 1/20 0.54
AKR1C4 P17516 1/20 0.54
AKR1C1 Q04828 1/20 0.54
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 2/20 0.48
ALPG P10696 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.46
DCTPP1 Q9H773 1/20 0.44

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
SCHEMBL314657 1.00 SMN1; SMN2 (0.54) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL314659 1.00 SMN1; SMN2 (0.54) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL11049649 0.86 MAPT (0.59) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL29961863 0.83 SMN1; SMN2 (0.51) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL21315653 0.83 SMN1; SMN2 (0.51) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL21315644 0.83 MEN1 (0.54) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL11023968 0.82 TDP1 (0.45) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL4305240 0.82 SMN1; SMN2 (0.58) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL9499752 0.81 SMN1; SMN2 (0.52) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL10098574 0.80 SMN1; SMN2 (0.48) SMN1; SMN2AKR1C3AKR1C2AKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966211-B1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-12-26 EP disclosed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 SMN1; SMN2 4841/4885AKR1C3 2784/4885AKR1C2 2727/4885

“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.