SCHEMBL4144647

SCHEMBL4144647

O=C(O)c1ccc2cc3n(c2c1)C=CNC1=C3CCC=C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ENPP2 Q13822 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4144911 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4139797 0.71 KMT2A (0.37) KDM4EALDH1A1HPGD
SCHEMBL3244153 0.65 SRD5A2 (0.43) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL4825624 0.63 CA12 (0.35) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL3075059 0.62 TBXA2R (0.36) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4826413 0.62 MAPK8 (0.34) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL4831483 0.61 SMN1; SMN2 (0.36) KDM4E
SCHEMBL4830100 0.61 KDM4E (0.37) KDM4EALDH1A1HPGDENPP2HSD17B10
SCHEMBL4830030 0.61 SLC22A12 (0.35)
SCHEMBL4828066 0.61 GAA (0.34) KDM4EALDH1A1HPGDENPP2HSD17B10

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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-05-28 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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 KDM4E 2269/4885ALDH1A1 754/4885HPGD 2142/4885

“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.