SCHEMBL9953799

SCHEMBL9953799

COc1ccc(C(Cc2cc(Br)ccn2)=NO)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
PKM P14618 2/20 0.37
TLR4 O00206 1/20 0.37
XDH P47989 1/20 0.37
NLRP3 Q96P20 1/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
NOS3 P29474 1/20 0.35

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
SCHEMBL12465688 1.00 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL12465686 1.00 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5216584 0.87 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5216588 0.87 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL15458671 0.85 GAA (0.39) SMN1; SMN2KDM4EALDH1A1MAPTLMNA
SCHEMBL12543647 0.82 NPC1 (0.38) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL12544105 0.82 RAB9A (0.38) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2008367 0.82 RAB9A (0.38) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2011684 0.82 NPC1 (0.38) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL15489236 0.82 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A

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-9567355-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2017-02-14 US disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 US disclosed
US-9493456-B2 Pyrazolopyridine and pyrazolopyrimidine derivatives as melanocortin-4 receptor modulators UNIVERSITE DE MONTREAL (CA) 2016-11-15 US disclosed
US-9453007-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2016-09-27 US disclosed
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-01-07 US disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 US disclosed
US-20150197520-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal 2015-07-16 US disclosed
US-9018395-B2 Pyrazolopyridine and pyrazolopyrimidine derivatives as melanocortin-4 receptor modulators Université de Montréal (CA) 2015-04-28 US disclosed
US-20140057894-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2014-02-27 US disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 US disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
WO-2012100342-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2012-08-02 WO disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 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-20150197520-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R SMN1; SMN2 4486/4885KDM4E 1175/4885ALDH1A1 2081/4885
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 SMN1; SMN2 4753/4885KDM4E 4355/4885ALDH1A1 1137/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 SMN1; SMN2 4753/4885KDM4E 4355/4885ALDH1A1 1137/4885
US-20140057894-A1 PYRAZOLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R SMN1; SMN2 4491/4885KDM4E 1564/4885ALDH1A1 1843/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 SMN1; SMN2 4753/4885KDM4E 4355/4885ALDH1A1 1137/4885

“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.