SCHEMBL3495327

SCHEMBL3495327

O=C(O)c1nccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.50
ATM Q13315 1/20 0.50
PTPN1 P18031 1/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ASPH Q12797 4/20 0.42
KDM8 Q8N371 4/20 0.42
HNF4A P41235 1/20 0.42
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.40
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL2848953 0.86 ADORA2A (0.46) KDM4EATMIKBKBCHUKMAPK8
SCHEMBL2001892 0.81 KDM4E (0.50) KDM4EATMPTPN1MAPTALDH1A1
Formamide SCHEMBL29058737 0.80 ADORA2A (0.42) KDM4EATMIKBKBCHUKMAPK8
SCHEMBL27689480 0.80 KDM4E (0.49) KDM4EATMMAPTALDH1A1L3MBTL1
SCHEMBL9383344 0.77 KDM4E (0.44) KDM4EATMPTPN1MAPTALDH1A1
SCHEMBL287699 0.77 KDM4E (0.57) KDM4EATMMAPTALDH1A1L3MBTL1
SCHEMBL7417186 0.76 KDM4E (0.42) KDM4EATMMAPTIKBKBCHUK
SCHEMBL9383340 0.76 KDM4E (0.46) KDM4EATMMAPTALDH1A1L3MBTL1
SCHEMBL2512833 0.75 KDM4E (0.40) KDM4EATMMAPTALDH1A1KDM4A
SCHEMBL5467068 0.74 KDM4E (0.54) KDM4EATMMAPTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108553462-A A kind of application of pyridines derivative compound in preparing treating cancer drug 江苏大学 2018-09-21 CN disclosed
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
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
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
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO 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 KDM4E 780/4885ATM 2412/4885PTPN1 2894/4885

“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.