SCHEMBL2848491

SCHEMBL2848491

CNC(=O)/C=C/c1cnc2occc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B1 P14061 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B2 P37059 1/20 0.41
PELI1 Q96FA3 3/20 0.40
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 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
SCHEMBL2848493 1.00 MET (0.41) METKDM4EKMT2ASMN1; SMN2IP6K1
SCHEMBL621357 0.73 CHRNB2 (0.50)
SCHEMBL621356 0.73 CHRNB2 (0.50)
SCHEMBL2846891 0.73 CYP2A6 (0.50) ALDH1A1L3MBTL1CDK8
SCHEMBL2847867 0.70 NR4A2 (0.40) KDM4ESMN1; SMN2CYP1A2CYP2C9HSD17B1
SCHEMBL16693178 0.70 PIK3CD (0.35)
SCHEMBL8687301 0.70 PARP1 (0.39) SMN1; SMN2ALDH1A1MAPT
SCHEMBL21315954 0.68 HDAC1 (0.43) METKMT2ASMN1; SMN2IP6K1IP6K3
SCHEMBL1101166 0.67 NTRK1 (0.39) KMT2ASMN1; SMN2CYP1A2CYP3A4ALDH1A1
SCHEMBL7422514 0.67 PSMD14 (0.49) KDM4EALDH1A1L3MBTL1CDK8

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 MET 4845/4885KDM4E 3186/4885KMT2A 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.