SCHEMBL2879598

SCHEMBL2879598

CCOc1ccc2c(C#N)c(-c3ccc(NP(=O)(O)O)cc3)n(CC)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PFKFB2 O60825 1/20 0.36
NSD2 O96028 1/20 0.36
PFKFB1 P16118 1/20 0.36
PFKFB3 Q16875 1/20 0.36
DOT1L Q8TEK3 1/20 0.36
AS3MT Q9HBK9 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
GRIK2 Q13002 2/20 0.35
GRIK1 P39086 1/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 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
SCHEMBL984912 0.90 NPSR1 (0.36) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL10096233 0.89 GRIK2 (0.36) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL10096734 0.85 KMT2A (0.49) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL4793520 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL10096731 0.84 PFKFB2 (0.46) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL4793515 0.84 PFKFB2 (0.42) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL14205488 0.83 PFKFB2 (0.46) MEN1KMT2APOLBL3MBTL1PFKFB2
SCHEMBL982919 0.83 TDP1 (0.41) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL10095590 0.83 CYP11B2 (0.44) ALDH1A1MEN1KMT2APOLBMAPK1
SCHEMBL10095605 0.83 PGR (0.45) ALDH1A1MEN1KMT2APOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
US-7781478-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-24 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
EP-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
US-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus PTC THERAPEUTICS, INC. 2008-04-24 US disclosed
US-20070299069-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 EP disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 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 (5 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-20080096928-A9 Indole compounds that modify translational control of Hepatitis C virus EIF2AK2, INMT, IDO1 ALDH1A1 1556/4885MEN1 4550/4885KMT2A 1335/4885
US-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885MEN1 4800/4885KMT2A 4464/4885
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885MEN1 4800/4885KMT2A 4464/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885MEN1 4800/4885KMT2A 4464/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS ALDH1A1 591/4885MEN1 4815/4885KMT2A 3974/4885

“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.