SCHEMBL810776

SCHEMBL810776

CC(C)c1ccc(C#N)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CSNK1A1 P48729 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
DHFR P00374 1/20 0.33
XDH P47989 1/20 0.33
NPC1 O15118 1/20 0.33
KHK P50053 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
SCHEMBL8198902 0.80 L3MBTL1 (0.51) KDM4EALDH1A1GAALMNAHTT
SCHEMBL12775196 0.78 KDM5A (0.36) KDM4EALDH1A1MAPTTSHRXDH
SCHEMBL4760466 0.77 ALDH1A1 (0.45) KDM4EALDH1A1GAAHTTRAB9A
SCHEMBL5857653 0.77 TRPV4 (0.33) ALDH1A1RAB9AMAPTHPGDTSHR
SCHEMBL531211 0.77 MAPK1 (0.33) ALDH1A1RAB9AMAPTHPGDTSHR
SCHEMBL810127 0.77 L3MBTL1 (0.33) KDM4EALDH1A1RAB9AMAPTHPGD
SCHEMBL30283054 0.77 ALDH1A1 (0.45) KDM4EALDH1A1GAAHTTRAB9A
SCHEMBL20892175 0.74 AR (0.37) KDM4EALDH1A1MAPT
SCHEMBL4077754 0.74 KDM4E (0.51) KDM4EALDH1A1GAAHSD17B10P2RX3
SCHEMBL14330454 0.74 L3MBTL1 (0.43) KDM4EALDH1A1GAAHTTHSD17B10

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO disclosed
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KDM4E 1822/4885ALDH1A1 2723/4885GAA 504/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KDM4E 1822/4885ALDH1A1 2723/4885GAA 504/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KDM4E 1822/4885ALDH1A1 2723/4885GAA 504/4885

“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.