SCHEMBL16632490

SCHEMBL16632490

O=c1ccn(CCOc2ccccc2Oc2cccc3[nH]ccc23)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
RHEB Q15382 4/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
MCL1 Q07820 1/20 0.41
DUT P33316 2/20 0.40
HTR1B P28222 1/20 0.40
HTR1A P08908 4/20 0.40
SLC6A4 P31645 2/20 0.40
TRPA1 O75762 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA1 P30542 1/20 0.37

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
SCHEMBL16632787 0.89 RHEB (0.52) L3MBTL1RHEBMCL1HTR1BHTR1A
SCHEMBL16632594 0.84 L3MBTL1 (0.48) L3MBTL1MCL1DUTHTR1BMEN1
SCHEMBL16632528 0.83 L3MBTL1 (0.43) L3MBTL1DRD2DRD3DUTHTR1A
SCHEMBL16632436 0.80 HTR1A (0.42) L3MBTL1DUTHTR1AMAPT
SCHEMBL16632625 0.80 L3MBTL1 (0.42) L3MBTL1MCL1DUTMEN1MAPK1
SCHEMBL14871820 0.80 L3MBTL1 (0.47) L3MBTL1DRD2DRD4DRD3DUT
SCHEMBL16632579 0.78 L3MBTL1 (0.41) L3MBTL1DUTKMT2A
SCHEMBL16632486 0.78 L3MBTL1 (0.53) L3MBTL1MCL1DUT
SCHEMBL16632604 0.75 L3MBTL1 (0.42) L3MBTL1DUTMAPT
SCHEMBL16632606 0.74 L3MBTL1 (0.39) L3MBTL1DUTMEN1MAPTKMT2A

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 879/4885RHEB 2503/4885DRD2 4588/4885

“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.