SCHEMBL2881187

SCHEMBL2881187

CCOc1ccc2cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
CYP19A1 P11511 1/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 3/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 8/20 0.43
LMNA P02545 4/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ESR2 Q92731 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPN1 P18031 1/20 0.42
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL2879184 0.86 MAPT (0.54) CYP19A1MEN1KMT2APOLBNPC1
SCHEMBL4568275 0.80 MAPT (0.46) MEN1KMT2ANPC1MAPTLMNA
SCHEMBL14904717 0.79 CYP19A1 (0.69) CYP19A1MEN1KMT2APOLBNPC1
SCHEMBL4867874 0.76 MMP13 (0.59) CYP19A1MEN1KMT2APOLBNPC1
SCHEMBL7512651 0.75 CA12 (0.64) CYP19A1MEN1KMT2APOLBNPC1
SCHEMBL4256660 0.75 KDM4E (0.46) CYP19A1NPC1MAPTALDH1A1HSD17B10
SCHEMBL4256107 0.74 RAB9A (0.43) NPC1MAPTALDH1A1ESR2HSD17B10
SCHEMBL45896 0.74 PTGS2 (0.80) PTGS2MEN1KMT2APOLBMAPT
SCHEMBL5635182 0.74 NPC1 (0.73) CYP19A1MEN1KMT2APOLBNPC1
SCHEMBL10173064 0.73 MAPT (0.59) CYP19A1MEN1KMT2APOLBNPC1

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 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
US-20070299068-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
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-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (2 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PTGS2 886/4885CYP19A1 4051/4885MEN1 4800/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS PTGS2 886/4885CYP19A1 4051/4885MEN1 4800/4885

“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.