SCHEMBL16632473

SCHEMBL16632473

O=c1ccn(CCOc2cc[c]cc2)c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.69
PDE3A Q14432 2/20 0.49
DUT P33316 9/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.40
CRBN Q96SW2 1/20 0.40

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
SCHEMBL14862868 0.84 L3MBTL1 (0.73) L3MBTL1PDE3ADUT
SCHEMBL4348697 0.76 L3MBTL1 (0.59) L3MBTL1DUTALDH1A1PKMCRBN
SCHEMBL16632765 0.75 L3MBTL1 (0.53) L3MBTL1PDE3ADUTCRBN
SCHEMBL26915664 0.74 L3MBTL1 (0.58) L3MBTL1PDE3ADUTPKMCRBN
SCHEMBL31592762 0.74 L3MBTL1 (0.58) L3MBTL1PDE3ADUTALDH1A1PKM
SCHEMBL14861415 0.71 L3MBTL1 (0.54) L3MBTL1DUTALDH1A1PKMCRBN
SCHEMBL5017263 0.70 L3MBTL1 (0.58) L3MBTL1PDE3ADUTPKMCRBN
SCHEMBL24066366 0.70 PKM (0.54) L3MBTL1DUTPKMCRBN
SCHEMBL26916017 0.70 L3MBTL1 (0.54) L3MBTL1DUTALDH1A1PKMCRBN
SCHEMBL4443382 0.70 CDK4 (0.56) L3MBTL1ALDH1A1PKM

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-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR L3MBTL1 879/4885PDE3A 1127/4885DUT 19/4885

“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.