SCHEMBL17344762

SCHEMBL17344762

CC(C)/C1=C(\C(C)C)Oc2ccccc2NCN1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX5 P09917 1/20 0.37
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL17344792 0.75 GAA (0.50) GAANPSR1MEN1MAPTKMT2A
SCHEMBL17344768 0.75 ALOX15 (0.32)
SCHEMBL17349174 0.69 GAA (0.46) GAANPSR1ALOX5MEN1MAPT
SCHEMBL17344788 0.68 NOS2 (0.33)
SCHEMBL5672804 0.68 ALOX5 (0.50) GAANPSR1ALOX5MEN1MAPT
SCHEMBL30549 0.62
SCHEMBL28141260 0.62 GAA (0.60) GAANPSR1ALOX5MEN1MAPT
SCHEMBL16558283 0.61 GAA (0.40) GAANPSR1ALOX5MAPT
Hydrochloric Acid SCHEMBL31003509 0.60 GAA (0.41) GAANPSR1ALOX5MEN1MAPT
SCHEMBL10670210 0.60 ALOX15 (0.39) GAANPSR1ALOX5MEN1MAPT

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-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 GAA 2728/4885NPSR1 3491/4885ALOX5 3995/4885

“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.