SCHEMBL14007670

SCHEMBL14007670

O=Cc1ccc2nc(NCCCN3CCOCC3)n(Cc3nc(Br)ccc3O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NME2 P22392 1/20 0.40
FLT3 P36888 2/20 0.39
TRPC5 Q9UL62 1/20 0.39
ACP1 P24666 1/20 0.38
MAPK1 P28482 3/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 3/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
GLA P06280 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAD52 P43351 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 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
SCHEMBL6368794 0.90 TRPC5 (0.43) NME2FLT3TRPC5ACP1MAPK1
SCHEMBL8285830 0.87 NME2 (0.41) NME2FLT3TRPC5ACP1MAPK1
SCHEMBL8283665 0.87 FLT3 (0.44) NME2FLT3TRPC5ACP1MAPK1
SCHEMBL6368762 0.87 KDM4E (0.41) NME2TRPC5ACP1MAPK1KDM4E
SCHEMBL8284400 0.85 TRPC5 (0.42) NME2FLT3TRPC5ACP1MAPK1
SCHEMBL14002760 0.84 NME2 (0.44) NME2FLT3TRPC5ACP1MAPK1
SCHEMBL8285779 0.83 TRPC5 (0.49) NME2FLT3TRPC5ACP1MAPK1
SCHEMBL14271804 0.83 ALDH1A1 (0.44) NME2TRPC5ACP1MAPK1KDM4E
SCHEMBL8293628 0.82 TRPC5 (0.41) TRPC5ACP1GAAMAPTALDH1A1
SCHEMBL14007671 0.82 TRPC5 (0.54) TRPC5ACP1MAPK1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280881-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION JANSSEN SCIENCES IRELAND UC (IE) 2008-11-13 US disclosed
US-20080280881-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION JANSSEN SCIENCES IRELAND UC (IE) 2008-11-13 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-20080280881-A1 MORPHOLINYL CONTAINING BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION RIN1, ZC3HAV1L, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NME2 456/4885FLT3 3302/4885TRPC5 3696/4885

“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.