SCHEMBL3495076

SCHEMBL3495076

Cc1cc(C(=O)O)c(-c2ccccc2)n1-c1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.54
ALDH1A1 P00352 4/20 0.54
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 2/20 0.48
MYC P01106 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
OPRD1 P41143 2/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL3491793 0.88 NOTUM (0.68) NOTUMALDH1A1MYCLMNAMAPT
SCHEMBL27570085 0.86 ALDH1A1 (0.63) NOTUMALDH1A1GAAMEN1KMT2A
SCHEMBL27538858 0.86 NOTUM (0.70) NOTUMALDH1A1
SCHEMBL27539158 0.85 NOTUM (0.52) NOTUMALDH1A1GAAMEN1KMT2A
SCHEMBL27514687 0.85 NOTUM (0.52) NOTUMALDH1A1GAAMEN1KMT2A
SCHEMBL27535983 0.85 NOTUM (0.71) NOTUMALDH1A1LMNAKDM4EPKM
SCHEMBL3494799 0.85 NOTUM (0.52) NOTUMALDH1A1GAAMEN1KMT2A
SCHEMBL3494596 0.84 NOTUM (0.71) NOTUMALDH1A1KMT2ALMNAKDM4E
SCHEMBL27536183 0.84 ALDH1A1 (0.53) NOTUMALDH1A1GAAMEN1KMT2A
SCHEMBL27514684 0.83 NOTUM (0.50) NOTUMALDH1A1GAAMEN1KMT2A

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 6 patents. 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
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 NOTUM 1289/4885ALDH1A1 1062/4885GAA 4262/4885

“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.