SCHEMBL3492053

SCHEMBL3492053

Cc1cc(C(=O)O)c(-c2cccs2)n1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 10/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.43
PLA2G1B P04054 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3494689 0.82 KMO (0.47) NOTUMALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL3491793 0.79 NOTUM (0.68) NOTUMALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3493385 0.79 NOTUM (0.50) NOTUMALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL3132883 0.74 NOTUM (1.00) NOTUMALDH1A1
SCHEMBL13137667 0.71 NOTUM (0.59) NOTUMALDH1A1
SCHEMBL27535984 0.70 NOTUM (0.55) NOTUMALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL3494494 0.70 POLB (0.50) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL3495076 0.69 NOTUM (0.54) NOTUMALDH1A1KDM4ELMNAHSD17B10
SCHEMBL27538858 0.69 NOTUM (0.70) NOTUMALDH1A1
SCHEMBL27570085 0.69 ALDH1A1 (0.63) NOTUMALDH1A1KDM4ETSHRHSD17B10

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 1062/4885KDM4E 780/4885

“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.