SCHEMBL3312900

SCHEMBL3312900

CCCCOc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 2/20 0.48
▸ PRMT5 O14744 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ BTK Q06187 1/20 0.43
▸ AR P10275 4/20 0.43
▸ GAA P10253 1/20 0.43
▸ PARP1 P09874 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
SCHEMBL3312696 0.94 FAAH (0.50) SMN1; SMN2ALDH1A1POLBPRMT5TSHR
SCHEMBL3316341 0.94 FAAH (0.50) SMN1; SMN2ALDH1A1POLBPRMT5TSHR
SCHEMBL3318340 0.94 FAAH (0.50) SMN1; SMN2ALDH1A1POLBPRMT5TSHR
SCHEMBL3313906 0.94 FAAH (0.50) SMN1; SMN2ALDH1A1POLBPRMT5TSHR
SCHEMBL3312538 0.94 FAAH (0.50) SMN1; SMN2ALDH1A1POLBPRMT5TSHR
SCHEMBL3320407 0.94 FAAH (0.50) SMN1; SMN2ALDH1A1POLBPRMT5TSHR
SCHEMBL3319485 0.94 FAAH (0.50) SMN1; SMN2ALDH1A1POLBPRMT5TSHR
SCHEMBL3317724 0.85 POLB (0.55) SMN1; SMN2ALDH1A1POLBPRMT5TSHR
SCHEMBL10046622 0.82 HTT (0.44) SMN1; SMN2ALDH1A1POLBPRMT5TSHR
SCHEMBL764403 0.82 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1POLBPRMT5TSHR

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 12 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
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 SMN1; SMN2 45/4885ALDH1A1 3961/4885POLB 2008/4885
US-20100105690-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE IAPP, RNASE1, CTSA SMN1; SMN2 50/4885ALDH1A1 4004/4885POLB 2224/4885
US-20130137693-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE IAPP, RNASE1, CTSA SMN1; SMN2 50/4885ALDH1A1 4004/4885POLB 2224/4885

“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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