SCHEMBL3494494

SCHEMBL3494494

O=C(O)c1cnn(-c2ccccc2)c1-c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NR4A3 Q92570 1/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
MAPK1 P28482 1/20 0.46
RIPK2 O43353 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4497271 0.79 ALDH1A1 (0.65) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL8230095 0.76 POLB (0.40) POLBALDH1A1KDM4ENPSR1GAA
SCHEMBL2853100 0.73 POLB (0.64) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL15750441 0.72 LMNA (0.58) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL3545813 0.72 MAPT (0.62) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL10998196 0.72 POLB (0.61) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL70175 0.72 POLB (0.61) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL3492053 0.70 NOTUM (0.57) POLBSMN1; SMN2L3MBTL1MAPTALDH1A1
SCHEMBL1335080 0.70 RIPK2 (0.78) POLBSMN1; SMN2L3MBTL1NR4A3MAPT
SCHEMBL5067628 0.70 SMN1; SMN2 (0.59) POLBSMN1; SMN2L3MBTL1NR4A3MAPT

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-20140178503-A1 CYCLOHEXYL UREA MODULATORS OF D2 RECEPTORS AND/OR D3 RECEPTORS AUSPEX PHARMACEUTICALS, INC. (US) 2014-06-26 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
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

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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 POLB 1984/4885SMN1; SMN2 4730/4885L3MBTL1 3870/4885
US-20140178503-A1 CYCLOHEXYL UREA MODULATORS OF D2 RECEPTORS AND/OR D3 RECEPTORS UTS2R, VDR, PTGDR POLB 4296/4885SMN1; SMN2 4877/4885L3MBTL1 4709/4885

“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.