SCHEMBL14007671

SCHEMBL14007671

OCc1ccc2c(c1)nc(NCCCN1CCOCC1)n2Cc1nc(Br)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 2/20 0.54
MAPK1 P28482 3/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
RAD52 P43351 1/20 0.37
RAB9A P51151 1/20 0.37
ITK Q08881 1/20 0.37
MCHR1 Q99705 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
SCHEMBL8250773 0.90 TRPC5 (0.58) TRPC5MAPK1KMT2AALDH1A1MEN1
SCHEMBL8284438 0.87 TRPC5 (0.55) TRPC5MAPK1KMT2AALDH1A1MEN1
SCHEMBL8284461 0.86 TRPC5 (0.54) TRPC5MAPK1KMT2AALDH1A1MEN1
SCHEMBL6369010 0.86 TRPC5 (0.56) TRPC5MAPK1KMT2AALDH1A1MEN1
SCHEMBL8284447 0.85 TRPC5 (0.56) TRPC5MAPK1KMT2AALDH1A1MEN1
SCHEMBL8252768 0.85 TRPC5 (0.63) TRPC5KMT2AALDH1A1MEN1NPSR1
SCHEMBL8284408 0.84 TRPC5 (0.59) TRPC5MAPK1KMT2AALDH1A1MEN1
SCHEMBL8250779 0.83 TRPC5 (0.49) TRPC5MAPK1KMT2AALDH1A1MEN1
SCHEMBL14007670 0.82 NME2 (0.40) TRPC5MAPK1KMT2AALDH1A1MEN1
SCHEMBL8253653 0.82 TRPC5 (0.61) TRPC5KMT2AALDH1A1MEN1MAPT

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 TRPC5 3696/4885MAPK1 2219/4885KMT2A 400/4885

“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.