SCHEMBL4906727

SCHEMBL4906727

[CH]1CNCCN1Cc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
APEX1 P27695 2/20 0.40
RECQL P46063 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PSMD14 O00487 1/20 0.40
MMP2 P08253 1/20 0.40
DNMT1 P26358 1/20 0.40
PTPN7 P35236 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3108724 0.76 SIGMAR1 (0.52) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4906722 0.76 SIGMAR1 (0.52) MAPTMEN1KMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL7228224 0.75 SIGMAR1 (0.50) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL276364 0.73 SIGMAR1 (0.56) MEN1KMT2AALDH1A1TSHRCYP2D6
SCHEMBL8722265 0.67 ALDH1A1 (0.54) MAPTMEN1POLBAPEX1RECQL
SCHEMBL16598868 0.67 ALDH1A1 (0.47) MAPTMEN1POLBKMT2ATDP1
SCHEMBL4903098 0.67 ALDH1A1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL31670698 0.66 SIGMAR1 (0.55) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL8045561 0.66 SIGMAR1 (0.55) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL31210194 0.66 CHRM2 (0.42) MAPTMEN1POLBKMT2ATDP1

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-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-07-24 US disclosed
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 US disclosed
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-09-07 US disclosed
US-7091219-B2 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-08-15 US disclosed
EP-1586558-A2 Bis-sulfonamide hydroxyethylamino retroviral protease inhinitors G.D. Searle LLC. (US) 2005-10-19 EP disclosed
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2004-04-01 US disclosed
US-6569882-B2 Viricides; enzyme inhibitors G. D. SEARLE & CO. 2003-05-27 US disclosed
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-01-16 US disclosed
US-6384036-B1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. 2002-05-07 US disclosed
US-6143747-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-11-07 US disclosed
EP-0804428-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 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 (4 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-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS PRSS1, DNPEP, PREP MAPT 1389/4885MEN1 3509/4885POLB 1588/4885
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP MAPT 1422/4885MEN1 3301/4885POLB 1607/4885
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP MAPT 1389/4885MEN1 3509/4885POLB 1588/4885
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP MAPT 1422/4885MEN1 3301/4885POLB 1607/4885

“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.