SCHEMBL20066430

SCHEMBL20066430

CCCCOc1cc(C(N)=O)cc([N+](=O)[O-])c1NC/C=C/CNc1c(N)cc(C(N)=O)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
GAA P10253 1/20 0.40
ALPG P10696 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SMPD1 P17405 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
PRSS1 P07477 1/20 0.35

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
SCHEMBL20066429 0.95 MAPT (0.43) MAPTGAAALPGAKR1C3AKR1C2
SCHEMBL20066428 0.90 SMN1; SMN2 (0.44) MAPTALDH1A1LMNASMN1; SMN2SMPD1
SCHEMBL22121138 0.88 MAPT (0.39) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30880311 0.87 MAPT (0.39) MAPTGAAALPGAKR1C3AKR1C2
SCHEMBL22121518 0.86 MAPT (0.40) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL20066434 0.86 KDM4E (0.49) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL30880319 0.84 ALDH1A1 (0.40) MAPTGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL22121191 0.84 MAPT (0.44) MAPTGAAALDH1A1LMNAMEN1
SCHEMBL31454612 0.83 MAPT (0.38) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL19436505 0.82 MAPT (0.42) MAPTGAAALDH1A1LMNAMEN1

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-20180105514-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 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-20180105514-A1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS RB1, RBBP5, RCC2 MAPT 494/4885GAA 4184/4885ALPG 4809/4885

“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.