SCHEMBL4309580

SCHEMBL4309580

COc1ccc(I)c(CCNC2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
SIGMAR1 Q99720 6/20 0.56
POLB P06746 1/20 0.54
MCHR1 Q99705 1/20 0.53
ACHE P22303 5/20 0.52
BCHE P06276 4/20 0.52
BACE1 P56817 3/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAOB P27338 1/20 0.49

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
SCHEMBL4314663 0.94 MCHR1 (0.54) KMT2AMEN1SIGMAR1MCHR1ACHE
SCHEMBL4314671 0.94 MCHR1 (0.54) KMT2AMEN1SIGMAR1MCHR1ACHE
SCHEMBL16480389 0.88 KMT2A (0.61) KMT2AMEN1SIGMAR1POLBMCHR1
SCHEMBL3648714 0.88 MCHR1 (0.48) KMT2AMEN1SIGMAR1MCHR1ACHE
SCHEMBL3648720 0.88 MCHR1 (0.48) KMT2AMEN1SIGMAR1MCHR1ACHE
SCHEMBL2258425 0.87 KMT2A (0.60) KMT2AMEN1SIGMAR1POLBMCHR1
SCHEMBL13068683 0.85 KMT2A (0.58) KMT2AMEN1SIGMAR1POLBMCHR1
SCHEMBL2263432 0.83 KMT2A (0.55) KMT2AMEN1SIGMAR1POLBMCHR1
SCHEMBL28787947 0.82 ACHE (0.61) KMT2AMEN1SIGMAR1POLBACHE
SCHEMBL3655207 0.81 DRD4 (0.42) SIGMAR1ALDH1A1

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-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 US disclosed
US-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 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-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH1, HRH2 KMT2A 437/4885MEN1 928/4885SIGMAR1 343/4885

“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.