SCHEMBL12656172

SCHEMBL12656172

CC(=O)c1ccc(SN2CCC3(CC2)NCC(=O)N3)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 3/20 0.48
▸ HPGD P15428 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.34
▸ GFER P55789 2/20 0.34
▸ KDM1A O60341 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ RCOR1 Q9UKL0 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ ALOX5 P09917 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL12626437 0.78 KDM1A (0.53) NEK2KDM1AMAOBRCOR1KMT2A
SCHEMBL20019690 0.77 NEK2 (0.47) NEK2L3MBTL1LMNAALDH1A1GFER
SCHEMBL20739693 0.71 HPGD (0.41) HPGDL3MBTL1LMNAALDH1A1KDM1A
SCHEMBL25629535 0.70 LMNA (0.51) HPGDL3MBTL1LMNAALDH1A1NPC1
SCHEMBL12656167 0.70 KDM1A (0.36) HPGDLMNAALDH1A1GFERKDM1A
SCHEMBL609169 0.69 CYP1A1 (0.51) HPGDL3MBTL1LMNAALDH1A1GAA
SCHEMBL12673073 0.69 CRBN (0.40) NEK2L3MBTL1ALDH1A1GAANPC1
SCHEMBL12627055 0.66 NEK2 (1.00) NEK2L3MBTL1
SCHEMBL12624822 0.63 NEK2 (0.66) NEK2
SCHEMBL12656308 0.63 NEK2 (0.66) NEK2ALDH1A1GAASMN1; SMN2

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-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — 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-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 NEK2 966/4885HPGD 1809/4885L3MBTL1 3970/4885

“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.

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