SCHEMBL16632917

SCHEMBL16632917

Cc1cc2c(Oc3ccccc3OCCn3ccc(=O)[nH]c3=O)cccn2c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
DUT P33316 9/20 0.38
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CRBN Q96SW2 1/20 0.35
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL16632701 0.85 L3MBTL1 (0.42) L3MBTL1DUTTSHRKMT2A
SCHEMBL16632738 0.84 L3MBTL1 (0.40) L3MBTL1DUTTDP1LMNACRBN
SCHEMBL14871821 0.82 L3MBTL1 (0.43) L3MBTL1DUTTDP1CRBN
SCHEMBL16632519 0.77 L3MBTL1 (0.39) L3MBTL1DUTKMT2A
SCHEMBL16632570 0.77 L3MBTL1 (0.39) L3MBTL1DUTKMT2A
SCHEMBL16632625 0.77 L3MBTL1 (0.42) L3MBTL1DUTTSHRKMT2A
SCHEMBL16632647 0.77 L3MBTL1 (0.47) L3MBTL1DUTLMNA
SCHEMBL16644667 0.76 L3MBTL1 (0.41) L3MBTL1DUTCRBN
SCHEMBL16632516 0.76 L3MBTL1 (0.40) L3MBTL1DUTKMT2A
SCHEMBL16632528 0.76 L3MBTL1 (0.43) L3MBTL1DUTCRBNGAAKMT2A

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 879/4885DUT 19/4885TDP1 548/4885

“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.