SCHEMBL6503748

SCHEMBL6503748

CCOC(=O)c1c[nH]c2c1C(=O)CC(c1ccc(OC)c(F)c1)CC2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 4/20 0.45
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.40
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL6496938 0.78 NPC1 (0.43) SMN1; SMN2ALDH1A1LMNAPOLBRXFP1
SCHEMBL6505104 0.77 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1LMNAKDM4EPOLB
SCHEMBL6505175 0.76 AKR1C3 (0.41) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL6507421 0.72 AKR1C3 (0.38) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL6773129 0.70 KMT2A (0.43) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL4903460 0.68 BRD4 (0.50) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL6305765 0.68 MAPT (0.48) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL11801783 0.65 GAA (0.56) SMN1; SMN2ALDH1A1LMNAKDM4EMAPK1
SCHEMBL38660129 0.64 PDE4B (0.51) SMN1; SMN2ALDH1A1MAPTRAB9APDE4A
SCHEMBL7399792 0.64 AXL (0.45) SMN1; SMN2ALDH1A1MAPTRAB9A

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-6861529-B2 Cycloalkylpyrrole-3-carboxylic acid amide derivatives and heterocycloalkylpyrrole-3-carboxylic acid amide derivatives that bind with high affinity to the benzodiazepine site of GABA-A (gamma-aminobutyric acid) receptors PFIZER INC (US) 2005-03-01 US disclosed
EP-1404316-A1 CYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AND HETEROCYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AS GABA-A RECEPTOR LIGANDS Pfizer Products Inc. (US) 2004-04-07 EP disclosed
US-20030069416-A1 Cycloalkylpyrrole-3-carboxylic acid derivatives and heterocycloalkylpyrrole-3-carboxylic acid derivatives PFIZER INC. 2003-04-10 US disclosed
WO-2003004018-A1 CYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AND HETEROCYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AS GABA-A RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2003-01-16 WO 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-20030069416-A1 Cycloalkylpyrrole-3-carboxylic acid derivatives and heterocycloalkylpyrrole-3-carboxylic acid derivatives GABARAP, GABRA3, GABRA2 SMN1; SMN2 2085/4885ALDH1A1 409/4885LMNA 4325/4885

“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.