SCHEMBL862579

SCHEMBL862579

CCCCOc1ccc2c(c1)CC(C(=O)OCC)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
HTR2A P28223 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
PPARD Q03181 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HSP90AA1 P07900 1/20 0.38
KCNH2 Q12809 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL27888762 0.91 BRD4 (0.38) BRD4PDE3BPDE3AMAPK1PPARD
SCHEMBL14533831 0.89 HPGD (0.43) ALDH1A1MEN1MAPTKMT2A
SCHEMBL3250596 0.86 ALOX15 (0.43) MAPK1SMN1; SMN2ALDH1A1MEN1NPC1
SCHEMBL27792278 0.82 PKM (0.46) SMN1; SMN2HDAC8ALDH1A1MEN1GAA
SCHEMBL10256197 0.82 MEN1 (0.41) MAPK1SMN1; SMN2ALDH1A1MEN1NPC1
SCHEMBL10909269 0.81 GAA (0.40) MAPK1ALDH1A1MEN1GAAMAPT
SCHEMBL11956678 0.80 TNF (0.41) MAPK1SMN1; SMN2ALDH1A1MEN1GAA
SCHEMBL3256606 0.80 LMNA (0.42) MAPK1ALDH1A1MEN1GAAMAPT
SCHEMBL3257026 0.80 ALDH1A1 (0.42) MAPK1ALDH1A1MEN1GAAMAPT
SCHEMBL862757 0.80 MEN1 (0.49) MAPK1ALDH1A1MEN1GAAMAPT

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-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 BRD4 65/4885PDE3B 1667/4885PDE3A 1804/4885

“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.