SCHEMBL811482

SCHEMBL811482

CCCc1cnc(C#N)c(/N=C\N(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 5/20 0.38
HTT P42858 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 4/20 0.36
HSD17B10 Q99714 4/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL811483 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EHTTCYP1A2CYP3A4
SCHEMBL811450 0.77 GAA (0.40) ALDH1A1KDM4EHTTCYP1A2CYP3A4
SCHEMBL811449 0.77 GAA (0.40) ALDH1A1KDM4EHTTCYP1A2CYP3A4
SCHEMBL810515 0.75 GAA (0.38) ALDH1A1KDM4EHTTCYP1A2CYP3A4
SCHEMBL810514 0.75 GAA (0.38) ALDH1A1KDM4EHTTCYP1A2CYP3A4
SCHEMBL12787736 0.71 GAA (0.41) ALDH1A1KDM4EHTTCYP1A2CYP3A4
SCHEMBL6526087 0.71 GAA (0.41) ALDH1A1KDM4EHTTCYP1A2CYP3A4
SCHEMBL6526089 0.71 GAA (0.41) ALDH1A1KDM4EHTTCYP1A2CYP3A4
SCHEMBL811419 0.70 MAPK1 (0.40) ALDH1A1KDM4EHTTGAAHSD17B10
SCHEMBL12788136 0.70 ALDH1A1 (0.42) ALDH1A1KDM4EHTTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US 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 (1 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885KDM4E 1822/4885HTT 472/4885

“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.