SCHEMBL980133

SCHEMBL980133

N#Cc1c(-n2cccc2)[nH]c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
POLB P06746 3/20 0.44
MAPT P10636 2/20 0.44
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
ALDH1A1 P00352 2/20 0.42
DAO P14920 1/20 0.40
KIF11 P52732 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GPR35 Q9HC97 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
MPI P34949 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL979629 0.77 MEN1 (0.52) PARP1MEN1KMT2APOLBMAPT
SCHEMBL18529404 0.74 KCNMA1 (0.43) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8899055 0.74 KIF11 (0.50) PARP1MEN1KMT2APOLBMAPT
SCHEMBL29993384 0.73 PARP1 (0.73) PARP1MEN1KMT2APOLBMAPT
SCHEMBL6008297 0.73 PARP1 (0.73) PARP1MEN1KMT2APOLBMAPT
SCHEMBL6008321 0.70 CTSV (0.69) PARP1MEN1KMT2APOLBMAPT
SCHEMBL10193366 0.69 KMT2A (0.47) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL6330879 0.69 CTSV (0.82) PARP1MEN1KMT2APOLBMAPT
SCHEMBL10914504 0.68 LMNA (0.64) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4825677 0.67 MAPT (0.54) PARP1MEN1KMT2APOLBMAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927576-B2 HCV inhibitor and therapeutic agent combinations PTC Therpeutics, Inc. (US) 2015-01-06 US disclosed
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
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-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US disclosed
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 US 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-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-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
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 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 (8 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 PARP1 2106/4885MEN1 4550/4885KMT2A 1335/4885
US-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PARP1 3264/4885MEN1 4800/4885KMT2A 4464/4885
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS PARP1 3225/4885MEN1 4825/4885KMT2A 4617/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS PARP1 2583/4885MEN1 4815/4885KMT2A 3974/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PARP1 3264/4885MEN1 4800/4885KMT2A 4464/4885
US-20070299069-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS PARP1 3264/4885MEN1 4800/4885KMT2A 4464/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS PARP1 2583/4885MEN1 4815/4885KMT2A 3974/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PARP1 2191/4885MEN1 4860/4885KMT2A 4114/4885

“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.