SCHEMBL2844595

SCHEMBL2844595

CCOc1cccc2nc(CCCNC)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
G6PD P11413 1/20 0.43
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A4 P31645 2/20 0.39
HRH1 P35367 1/20 0.39
PTGS2 P35354 1/20 0.38
POLB P06746 1/20 0.37
PARP1 P09874 1/20 0.36
DRD4 P21917 1/20 0.36
DAO P14920 1/20 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
SCHEMBL2843289 0.84 KDM4E (0.37) TP53ALDH1A1SMN1; SMN2SLC6A4HRH1
SCHEMBL2843705 0.80 CBFB (0.49) TP53G6PDALDH1A1SMN1; SMN2SLC6A4
SCHEMBL2844385 0.79 HSD17B10 (0.46) TP53SMN1; SMN2POLB
SCHEMBL2849291 0.79 POLB (0.41) SMN1; SMN2POLBPARP1
SCHEMBL9306439 0.72 DAO (0.46) ALDH1A1SMN1; SMN2DRD4DAO
SCHEMBL1884521 0.72 POLB (0.72) SMN1; SMN2POLB
SCHEMBL9306376 0.72 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2PTGS2DRD4DAO
SCHEMBL2735452 0.72 TLR8 (0.46) ALDH1A1SMN1; SMN2DAO
SCHEMBL2310462 0.68 HSD17B10 (0.44) TP53ALDH1A1SMN1; SMN2POLB
SCHEMBL24712708 0.68 HRH1 (0.55) TP53ALDH1A1SLC6A4HRH1POLB

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 3 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

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 TP53 4168/4885G6PD 3380/4885ALDH1A1 1834/4885

“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.