SCHEMBL10249712

SCHEMBL10249712

CCc1c(N)[nH]c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 2/20 0.56
GPR35 Q9HC97 1/20 0.52
PARP1 P09874 1/20 0.50
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
DAO P14920 1/20 0.45
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NPBWR1 P48145 1/20 0.43
HTT P42858 2/20 0.43
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
RIPK1 Q13546 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
SCHEMBL10193324 0.80 MEN1 (0.56) MAPTMEN1KMT2APOLBGPR35
SCHEMBL18708405 0.75 MEN1 (0.51) MAPTMEN1KMT2APOLBGPR35
SCHEMBL6008297 0.75 PARP1 (0.73) MAPTMEN1KMT2APOLBGPR35
SCHEMBL29993384 0.75 PARP1 (0.73) MAPTMEN1KMT2APOLBGPR35
SCHEMBL979629 0.73 MEN1 (0.52) MAPTMEN1KMT2APOLBGPR35
SCHEMBL1630097 0.73 MEN1 (0.56) MAPTMEN1KMT2APOLBGPR35
SCHEMBL3215770 0.73 KMT2A (0.52) MAPTMEN1KMT2APOLBGPR35
SCHEMBL9400646 0.72 MAPT (0.54) MAPTMEN1KMT2APOLBPARP1
SCHEMBL10265469 0.71 PKM (0.69) MAPTMEN1KMT2APOLBPARP1
SCHEMBL6009598 0.70 PARP1 (0.61) MAPTMEN1KMT2APOLBPARP1

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 MAPT 3963/4885MEN1 4550/4885KMT2A 1335/4885
US-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MAPT 4477/4885MEN1 4800/4885KMT2A 4464/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS MAPT 3547/4885MEN1 4825/4885KMT2A 4617/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS MAPT 4416/4885MEN1 4815/4885KMT2A 3974/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MAPT 4477/4885MEN1 4800/4885KMT2A 4464/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MAPT 4477/4885MEN1 4800/4885KMT2A 4464/4885

“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.