SCHEMBL12499119

SCHEMBL12499119

COC(=O)c1cc(OCc2ccccc2)ccc1C#CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MAOA P21397 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX5AP P20292 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
FAAH O00519 2/20 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
SCHEMBL15360290 0.85 MAOB (0.42) MAOBKDM4EMAOAALDH1A1HPGD
SCHEMBL12500028 0.82 MAOB (0.48) MAOBMEN1KMT2AKDM4EMAPT
SCHEMBL15357877 0.80 CYP46A1 (0.40) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL23896387 0.77 MAOB (0.47) MAOBMAOAALDH1A1LMNAHPGD
SCHEMBL24379122 0.76 MAOB (0.62) MAOBKDM4EALDH1A1LMNAHPGD
SCHEMBL31220060 0.74 KDM4E (0.33) KDM4ELMNA
SCHEMBL22398496 0.73 MAOB (0.48) MAOBMEN1KMT2AKDM4EALDH1A1
SCHEMBL23887727 0.73 CNR1 (0.43) MAOBKDM4EMAPTALDH1A1LMNA
SCHEMBL22398278 0.72 RXRA (0.47) MAOBADRB2ADRB1ADRB3MEN1
SCHEMBL23051557 0.72 GAA (0.42) KMT2AKDM4EMAPTALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029391-B2 Isoquinoline compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-05-12 US disclosed
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2013-10-31 US disclosed
WO-2012102985-A1 ISOQUINOLINE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2012-08-02 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-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV MAVS, CCR5, NFATC1 MAOB 1822/4885ADRB2 2512/4885ADRB1 2246/4885

“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.