SCHEMBL12656167

SCHEMBL12656167

CC(=O)c1ccc(SN2CCC3(CC2)NC(=O)CN3Cc2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ RCOR1 Q9UKL0 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NR2E3 Q9Y5X4 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL12626443 0.85 KDM1A (0.48) KDM1AMAOBRCOR1ALDH1A1LMNA
SCHEMBL12621912 0.81 GFER (0.52) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL12624039 0.76 MC4R (0.44) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL15381042 0.72 CYP2D6 (0.43) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12627091 0.72 OPRD1 (0.55) OPRD1OPRK1
SCHEMBL12624018 0.71 KMT2A (0.47) ALDH1A1MEN1KMT2ACYP2D6GAA
SCHEMBL12624010 0.69 OPRL1 (0.48) ALDH1A1LMNAKDM4EHTTNPSR1
SCHEMBL20739693 0.69 HPGD (0.41) KDM1AMAOBRCOR1ALDH1A1LMNA
SCHEMBL12624028 0.68 SLC6A9 (0.47) ALDH1A1KDM4EOPRD1OPRK1
SCHEMBL12621911 0.66 CYP2D6 (0.43) ALDH1A1POLBMEN1KMT2AMAPT

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 KDM1A 3437/4885MAOB 522/4885RCOR1 3467/4885

“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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