SCHEMBL2844229

SCHEMBL2844229

CNCCCc1nc2cc(OC)c(OC)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.52
F10 P00742 1/20 0.49
KMT2A Q03164 3/20 0.43
POLB P06746 3/20 0.42
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
PGK1 P00558 2/20 0.40
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ERBB2 P04626 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL4 Q8NA19 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
PDE3B Q13370 1/20 0.38

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
SCHEMBL2266470 0.84 PDE10A (0.55) PDE10AF10KMT2APOLBKDM4E
Ammonia Solution, Strong SCHEMBL3663348 0.82 PDE10A (0.54) PDE10AF10KMT2APOLBKDM4E
SCHEMBL7332580 0.82 F10 (0.53) PDE10AF10KMT2APOLBKDM4E
SCHEMBL3639406 0.82 PDE10A (0.59) PDE10AF10KMT2APOLBKDM4E
SCHEMBL1888286 0.81 KMT2A (0.57) PDE10AF10KMT2APOLBKDM4E
SCHEMBL2850286 0.81 GRIN1 (0.55) PDE10AF10KMT2AKDM4EMAPT
SCHEMBL1886254 0.81 THRB (0.46) F10KMT2APOLBKDM4EMAPT
SCHEMBL2842625 0.79 GAA (0.59) PDE10AF10KMT2APOLBKDM4E
SCHEMBL2843323 0.77 AAK1 (0.43) F10POLBKDM4EMAPTATM
SCHEMBL11633661 0.75 KMT2A (0.59) KMT2APOLBMAPTPKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A PDE10A 1104/4885F10 460/4885KMT2A 2899/4885

“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.