SCHEMBL9959511

SCHEMBL9959511

COc1ccc(-c2nn3ccc(Br)cc3c2/C=N/O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NPM1 P06748 1/20 0.37
ALK Q9UM73 1/20 0.37
FGF23 Q9GZV9 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RPA1 P27694 1/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL9959512 1.00 KMT2A (0.43) KMT2AMEN1CA12CA2CA9
SCHEMBL9959559 0.84 KMT2A (0.40) KMT2AMEN1CA12CA2CA9
SCHEMBL12687660 0.82 NPM1 (0.37) KMT2AMEN1NPM1ALKALDH1A1
SCHEMBL12465649 0.82 NPM1 (0.37) KMT2AMEN1NPM1ALKALDH1A1
SCHEMBL12465648 0.82 NPM1 (0.37) KMT2AMEN1NPM1ALKALDH1A1
Hydrochloric Acid SCHEMBL12465729 0.81 NPM1 (0.37) KMT2AMEN1NPM1ALKALDH1A1
SCHEMBL12465680 0.81 NPM1 (0.36) KMT2AMEN1NPM1ALKALDH1A1
SCHEMBL12465668 0.79 NPM1 (0.35) KMT2AMEN1CA12CA2CA9
SCHEMBL12465669 0.79 NPM1 (0.35) KMT2AMEN1CA12CA2CA9
SCHEMBL15455323 0.78 NTRK1 (0.43) KMT2AMEN1NPM1ALKALDH1A1

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 8 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-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-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-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 (3 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-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 KMT2A 4446/4885MEN1 4246/4885CA12 2395/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 KMT2A 4446/4885MEN1 4246/4885CA12 2395/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 KMT2A 4446/4885MEN1 4246/4885CA12 2395/4885

“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.