SCHEMBL20066429

SCHEMBL20066429

CCCCOc1cc(C(N)=O)cc([N+](=O)[O-])c1NC/C=C/CNc1c(OC)cc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
GAA P10253 1/20 0.43
ALPG P10696 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
SMPD1 P17405 3/20 0.39
PRSS1 P07477 3/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL20066430 0.95 MAPT (0.40) MAPTGAAALPGALDH1A1SMN1; SMN2
SCHEMBL22121138 0.92 MAPT (0.39) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL30880311 0.91 MAPT (0.39) MAPTGAAALPGALDH1A1SMN1; SMN2
SCHEMBL22121518 0.91 MAPT (0.40) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL30880319 0.88 ALDH1A1 (0.40) MAPTGAAALDH1A1SMN1; SMN2KMT2A
SCHEMBL22121191 0.88 MAPT (0.44) MAPTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL31454612 0.87 MAPT (0.38) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL19436541 0.86 MAPT (0.42) MAPTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL19436505 0.86 MAPT (0.42) MAPTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL31016308 0.86 MAPT (0.35) MAPTGAAALDH1A1SMN1; SMN2LMNA

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-20230398225-A1 PD-L1/STING CONJUGATES AND METHODS OF USE INCYTE CORPORATION 2023-12-14 US disclosed
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 (2 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-20230398225-A1 PD-L1/STING CONJUGATES AND METHODS OF USE STING1, PDCD1LG2, CD274 MAPT 3654/4885GAA 1205/4885ALPG 3123/4885
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.