SCHEMBL5095604

SCHEMBL5095604

CN1CCN(C(=O)c2ccc(C=CC(=O)c3nc4ccccc4nc3O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.53
POLB P06746 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
GRM5 P41594 1/20 0.44
GPR183 P32249 3/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 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
SCHEMBL1383947 0.87 APP (0.52) APPPOLBALDH1A1MAPTHPGD
SCHEMBL1383155 0.87 HPGD (0.43) APPALDH1A1HPGDGRM5GPR183
SCHEMBL1382357 0.85 SMN1; SMN2 (0.47) POLBALDH1A1TSHRMEN1CYP1A2
SCHEMBL1383157 0.82 SMN1; SMN2 (0.48) ALDH1A1MAPTTSHR
SCHEMBL5095606 0.82 POLB (0.49) APPPOLBALDH1A1MAPTHPGD
SCHEMBL1384279 0.82 PTK2 (0.50) APPPOLBALDH1A1MAPTHPGD
SCHEMBL1382578 0.81 DRD2 (0.49) MAPTGPR183MEN1KMT2AGAA
SCHEMBL1383929 0.80 TSHR (0.51) APPPOLBALDH1A1MAPTHPGD
SCHEMBL1386812 0.80 ALDH1A1 (0.51) ALDH1A1MAPTHPGDTSHRMEN1
SCHEMBL1386346 0.77 ELANE (0.41) ALDH1A1MAPTMEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US claimed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US disclosed
EP-1748987-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS Torrent Pharmaceuticals Ltd (IN) 2007-02-07 EP disclosed
WO-2005097746-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS TORRENT PHARMACEUTICALS LTD (IN) 2005-10-20 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-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers HSPB1, HSF1, HSPE1 APP 156/4885POLB 2686/4885ALDH1A1 1129/4885

“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.