SCHEMBL2844385

SCHEMBL2844385

CNCCc1nc2cccc(OC)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
THRB P10828 1/20 0.39
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
TP53 P04637 1/20 0.38
PDE10A Q9Y233 1/20 0.38
HTT P42858 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PDE3B Q13370 1/20 0.37

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
SCHEMBL31345741 0.79 SMN1; SMN2 (0.46) HSD17B10NPC1RAB9ASMN1; SMN2POLB
SCHEMBL30096716 0.79 RAB9A (0.46) NPC1RAB9ASMN1; SMN2POLBTP53
SCHEMBL2844595 0.79 TP53 (0.43) SMN1; SMN2POLBTP53
SCHEMBL2843289 0.78 KDM4E (0.37) SMN1; SMN2LMNAPOLBTP53HTT
SCHEMBL3632593 0.74 CDK9 (0.43) HSD17B10NPC1RAB9ASMN1; SMN2MTNR1A
SCHEMBL2851401 0.72 PKM (0.68) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL4420447 0.72 NQO2 (0.46) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL4611131 0.72 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL1012169 0.71 PDE4A (0.39) POLBATMKDM4EMAPTNQO2
SCHEMBL2849291 0.71 POLB (0.41) SMN1; SMN2POLBHTTKDM4E

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 HSD17B10 3301/4885NPC1 1612/4885RAB9A 547/4885

“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.