SCHEMBL2846504

SCHEMBL2846504

CNCCCc1nc2c(NC(C)=O)cccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
PKM P14618 1/20 0.41
PARP1 P09874 2/20 0.40
DHODH Q02127 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.38
PARP14 Q460N5 1/20 0.38
LMNA P02545 3/20 0.37
CHEK1 O14757 1/20 0.36
NR3C2 P08235 1/20 0.36
AURKA O14965 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 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
Hydrochloric Acid SCHEMBL2845425 0.99 HTT (0.43) HTTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL6530094 0.85 NPC1 (0.46) HTTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL2845527 0.78 RIPK1 (0.58) HTTPARP1KDM4EPOLBLMNA
SCHEMBL10767446 0.78 MGAM (0.42) ALDH1A1POLB
SCHEMBL2842462 0.77 PSMB8 (0.43) PKMKDM4EPOLBLMNA
SCHEMBL2848672 0.77 CACNA1G (0.41) HTTNPC1RAB9APARP1DHODH
SCHEMBL20762474 0.74 PARP1 (0.55) NPC1RAB9ASMN1; SMN2PARP1DHODH
SCHEMBL2310462 0.74 HSD17B10 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL30645124 0.73 PARP1 (0.46) NPC1RAB9ASMN1; SMN2PARP1DHODH
SCHEMBL15113097 0.73 PARP1 (0.46) NPC1RAB9ASMN1; SMN2PARP1DHODH

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 HTT 2887/4885NPC1 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.