SCHEMBL810984

SCHEMBL810984

N#Cc1ccc(Oc2ccc(O)cc2)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.48
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP3 P08254 1/20 0.43
PARP15 Q460N3 1/20 0.41

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
SCHEMBL7129140 0.83 CYP1A2 (0.57) ARMEN1KMT2AMAPTCYP1A2
SCHEMBL31090835 0.83 CYP1A2 (0.57) ARMEN1KMT2AMAPTCYP1A2
SCHEMBL29851244 0.81 AR (0.48) ARCA12CA2CA3CA6
SCHEMBL11117166 0.81 FFAR1 (0.53) ARCA12CA2CA3CA6
SCHEMBL8616842 0.81 AR (0.48) ARCA12CA2CA3CA6
SCHEMBL10852120 0.81 AR (0.54) ARCA12CA2CA3CA6
SCHEMBL7020181 0.80 AR (0.46) ARCA12CA2CA9MEN1
Hydrochloric Acid SCHEMBL7010096 0.79 MAOB (0.61) ARMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7024360 0.78 ALDH1A1 (0.50) CA3CA6CA14MEN1KMT2A
SCHEMBL2964216 0.77 MAPT (0.70) ARMEN1KMT2AMAPTCYP1A2

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 6 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
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP 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

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 AR 3318/4885CA12 4243/4885CA2 4753/4885

“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.