SCHEMBL5112433

SCHEMBL5112433

CC(C)N(Cc1ccccc1)C(=O)CBr

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.75
▸ MEN1 O00255 2/20 0.75
▸ LMNA P02545 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ PSEN1 P49768 1/20 0.49
▸ PSEN2 P49810 1/20 0.49
▸ APH1B Q8WW43 1/20 0.49
▸ NCSTN Q92542 1/20 0.49
▸ APH1A Q96BI3 1/20 0.49
▸ PSENEN Q9NZ42 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ AKT1 P31749 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47

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
SCHEMBL25049799 0.84 KMT2A (0.77) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL13434089 0.84 KMT2A (0.77) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL1701279 0.83 KMT2A (0.76) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL17605612 0.83 KMT2A (0.53) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL21193692 0.83 KMT2A (0.53) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL21193690 0.83 KMT2A (0.53) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL10686463 0.83 KMT2A (0.75) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL11443909 0.83 KMT2A (0.75) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL17605158 0.82 EP300 (0.58) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2
SCHEMBL17605963 0.82 EP300 (0.58) KMT2AMEN1LMNAL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358242-B2 Tetraazabenzo[e]azulene derivatives and analogs thereof PFIZER INC. (US) 2008-04-15 — — US disclosed
US-7358242-B2 Tetraazabenzo[e]azulene derivatives and analogs thereof PFIZER INC. (US) 2008-04-15 — — US disclosed
US-7358242-B2 Tetraazabenzo[e]azulene derivatives and analogs thereof PFIZER INC. (US) 2008-04-15 — — US disclosed
US-20070265193-A1 TETRAAZABENZO[E]AZULENE DERIVATIVES AND ANALOGS THEREOF PFIZER INC 2007-11-15 — — US disclosed
US-20070265193-A1 TETRAAZABENZO[E]AZULENE DERIVATIVES AND ANALOGS THEREOF PFIZER INC 2007-11-15 — — US disclosed
US-20070265193-A1 TETRAAZABENZO[E]AZULENE DERIVATIVES AND ANALOGS THEREOF PFIZER INC 2007-11-15 — — US disclosed
US-7265104-B2 Tetraazabenzo[e]azulene derivatives and analogs thereof PFIZER INC. (US) 2007-09-04 — — US disclosed
US-7265104-B2 Tetraazabenzo[e]azulene derivatives and analogs thereof PFIZER INC. (US) 2007-09-04 — — US disclosed
US-7265104-B2 Tetraazabenzo[e]azulene derivatives and analogs thereof PFIZER INC. (US) 2007-09-04 — — US disclosed
CN-1950374-A Tetraazabenzo[e]azulene derivatives and analogs thereof PFIZER (US) 2007-04-18 — — CN disclosed
EP-1753766-A1 TETRAAZABENZO(E)AZULENE DERIVATIVES AND ANALOGS THEREOF Pfizer Products Inc. (US) 2007-02-21 — — EP disclosed
WO-2005116034-A1 TETRAAZABENZO[E]AZULENE DERIVATIVES AND ANALOGS THEREOF PFIZER PRODUCTS INC. (US) 2005-12-08 — — WO disclosed
US-20050267100-A1 Tetraazabenzo[e]azulene derivatives and analogs thereof PFIZER INC 2005-12-01 — — 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 (2 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-20070265193-A1 TETRAAZABENZO[E]AZULENE DERIVATIVES AND ANALOGS THEREOF CCKAR, CCKBR, GLP1R KMT2A 3726/4885MEN1 1596/4885LMNA 2559/4885
US-20050267100-A1 Tetraazabenzo[e]azulene derivatives and analogs thereof CCKAR, CCKBR, GPR119 KMT2A 3050/4885MEN1 2268/4885LMNA 2398/4885

“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.

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