SCHEMBL17348448

SCHEMBL17348448

C/C1=C(\C)OCc2ccccc2NCN1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
HTR5A P47898 2/20 0.31
BRD4 O60885 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
SCHEMBL17349230 0.80 NPC1 (0.38) GAAMAOAMAOBMGAMSI
SCHEMBL17348453 0.77 ALOX15 (0.38) ALOX15HSD17B10GAANPSR1MAOA
SCHEMBL17349174 0.71 GAA (0.46) GAANPSR1BRD4
SCHEMBL17344768 0.71 ALOX15 (0.32) ALOX15HSD17B10
SCHEMBL14084321 0.67 GAA (0.63) ALOX15HSD17B10GAANPSR1MAOA
SCHEMBL22702757 0.65 MAOA (0.58) HSD17B10GAAMAOAMAOBHTR5A
SCHEMBL30549 0.65
SCHEMBL17349171 0.64 NOS2 (0.37) HSD17B10BRD4
SCHEMBL57723 0.63 ALOX15 (0.43) ALOX15HSD17B10GAANPSR1MAOA
Hydrogen Sulfide SCHEMBL27951535 0.63 ALOX15 (0.48) ALOX15HSD17B10GAANPSR1MAOB

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
EP-2952503-B1 CARBOXYLIC ACID DERIVATIVES AS HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2019-10-23 EP disclosed
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 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-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA ALOX15 3858/4885HSD17B10 2053/4885GAA 2728/4885

“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.