SCHEMBL10065639

SCHEMBL10065639

CNc1cccn(CC(=O)O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
ELANE P08246 3/20 0.44
XIAP P98170 1/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL12674551 0.87 SMN1; SMN2 (0.46) ALDH1A1LMNAMEN1KMT2AELANE
SCHEMBL14195270 0.84 PKM (0.44) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL14467741 0.79 IDH1 (0.44) ALDH1A1LMNAMEN1MAPTRECQL
SCHEMBL4592116 0.77 MAPT (0.49) ALDH1A1LMNAMEN1MAPTALOX12
SCHEMBL24851373 0.76 ELANE (0.47) ELANEXIAP
SCHEMBL5179205 0.75 EGLN1 (0.53) ALDH1A1LMNAMEN1MAPTALOX12
SCHEMBL27884148 0.75 RAB9A (0.47) ALDH1A1LMNAMEN1MAPTALOX12
SCHEMBL5117233 0.74 F2 (0.58) ALDH1A1LMNAKDM4EPOLB
SCHEMBL949229 0.74 CASP1 (0.69) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL20541346 0.74 KMT2A (0.49) ALDH1A1LMNAMEN1MAPTALOX12

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
US-20120071329-A1 METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES GLAXOSMITHKLINE LLC (US) 2012-03-22 US disclosed
US-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES GLAXOSMITHKLINE (US) 2011-10-13 US disclosed
US-7989395-B2 Methods for identifying compounds of interest using encoded libraries GLAXOSMITHKLINE LLC (US) 2011-08-02 US disclosed
US-20110136697-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES PRAECIS PHARMACEUTICALS INCORPORATED (US) 2011-06-09 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-20110251089-A1 METHODS FOR SYNTHESIS OF ENCODED LIBRARIES RNGTT, DTYMK, DUT ALDH1A1 2470/4885LMNA 3319/4885MEN1 3008/4885

“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.