SCHEMBL3494927

SCHEMBL3494927

CCOC(=O)CCc1cc(OC)c(OC)c(-n2c(C)c(Cc3ccccc3)c(C(=O)O)c2-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
ALOX5 P09917 2/20 0.42
ATM Q13315 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NTRK1 P04629 1/20 0.39
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 4/20 0.37
FAAH O00519 1/20 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
SCHEMBL3494831 0.81 KMT2A (0.48) KMT2AALOX5ATMNPC1RAB9A
SCHEMBL3495038 0.81 PLA2G2A (0.39) KMT2AATMALDH1A1MEN1
SCHEMBL3494924 0.78 KMT2A (0.45) KMT2AALOX5ATMNPC1RAB9A
SCHEMBL3493427 0.72 MEN1 (0.42) KMT2AATMALDH1A1GAAMEN1
SCHEMBL491077 0.71 ALDH1A1 (0.62) KMT2AALDH1A1GAAMEN1
SCHEMBL8236282 0.67 PDE4B (0.40) KMT2AALOX5ATMNPC1RAB9A
SCHEMBL491168 0.67 ALOX5 (0.81) KMT2AALOX5ATMNPC1RAB9A
SCHEMBL3492958 0.66 ALDH1A1 (0.53) KMT2AALOX5ALDH1A1GAAMEN1
SCHEMBL3493834 0.65 MAPK1 (0.50) KMT2AATMALDH1A1GAAMEN1
SCHEMBL3494815 0.65 NR4A2 (0.46) KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 KMT2A 952/4885ALOX5 1064/4885ATM 2412/4885

“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.