SCHEMBL3317990

SCHEMBL3317990

CCOc1nn(CC)c(=O)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.55
▸ MAPT P10636 2/20 0.52
▸ TBXAS1 P24557 1/20 0.49
▸ KAT2B Q92831 2/20 0.47
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA1 P30542 1/20 0.43

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
SCHEMBL13413651 0.85 MAPT (0.54) RECQLMAPTTBXAS1KAT2BLMNA
SCHEMBL10421950 0.80 MAPT (0.56) RECQLMAPTTBXAS1LMNASMN1; SMN2
SCHEMBL10485351 0.77 PKM (0.55) RECQLMAPTKAT2BLMNASMN1; SMN2
SCHEMBL12877767 0.76 LMNA (0.64) RECQLMAPTTBXAS1LMNASMN1; SMN2
SCHEMBL3316327 0.76 KAT2B (0.52) MAPTKAT2BLMNASMN1; SMN2GAA
SCHEMBL24000681 0.76 MAPT (0.48) RECQLMAPTTBXAS1KAT2BKMT2A
SCHEMBL13829800 0.75 MAPT (0.60) RECQLMAPTTBXAS1KAT2BLMNA
SCHEMBL13728276 0.75 MAPT (0.56) RECQLMAPTTBXAS1KAT2BLMNA
SCHEMBL3312575 0.74 CNR2 (0.51) MAPTKAT2BSMN1; SMN2KMT2A
SCHEMBL3319604 0.74 CNR2 (0.51) MAPTKAT2BSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278098-B2 Substituted phthalazines for inducing insulin secretion and protecting beta-cells UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-03-08 — — US disclosed
US-20150164892-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2015-06-18 — — US disclosed
EP-2132183-B1 LISOFYLLINE ANALOGS AND METHODS FOR USE Univ Virginia Patent Found (US) 2015-06-03 — — EP disclosed
EP-2132183-B1 LISOFYLLINE ANALOGS AND METHODS FOR USE Univ Virginia Patent Found (US) 2015-06-03 — — EP disclosed
US-8871764-B2 Lisofylline analogs and methods for use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-10-28 — — US disclosed
US-20130137693-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-05-30 — — US disclosed
US-20100105690-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-04-29 — — US disclosed
US-20100105690-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-04-29 — — US disclosed
US-20100105690-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2010-04-29 — — US disclosed
EP-2132183-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE University Of Virginia Patent Foundation (US) 2009-12-16 — — EP disclosed
WO-2008108842-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-09-12 — — 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 (3 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-20150164892-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE IAPP, RNASE1, CTSA RECQL 938/4885MAPT 4048/4885TBXAS1 1911/4885
US-20100105690-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE IAPP, RNASE1, CTSA RECQL 1030/4885MAPT 3953/4885TBXAS1 2104/4885
US-20130137693-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE IAPP, RNASE1, CTSA RECQL 1030/4885MAPT 3953/4885TBXAS1 2104/4885

“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.

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