SCHEMBL1383880

SCHEMBL1383880

O=C(C=Cc1ccc(C(=O)N2CCN(c3ccncc3)CC2)cc1)c1ccc2ccccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.57
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 2/20 0.57
TSHR P16473 2/20 0.56
GAA P10253 2/20 0.50
MAPT P10636 4/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
PFKFB3 Q16875 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NAMPT P43490 1/20 0.46
RAB9A P51151 2/20 0.46
AKR1C3 P42330 1/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
TNKS O95271 1/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL1383419 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4ETSHRGAA
SCHEMBL1385574 0.86 TSHR (0.53) SMN1; SMN2ALDH1A1KDM4ETSHRMAPT
SCHEMBL1385625 0.85 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4ETSHRGAA
SCHEMBL1386472 0.85 TSHR (0.47) SMN1; SMN2ALDH1A1KDM4ETSHRGAA
SCHEMBL1383929 0.85 TSHR (0.51) SMN1; SMN2ALDH1A1KDM4ETSHRGAA
SCHEMBL1382600 0.85 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KDM4ETSHRMAPT
SCHEMBL1383374 0.84 HPGD (0.49) SMN1; SMN2ALDH1A1KDM4ETSHRGAA
SCHEMBL1383882 0.84 PFKFB3 (0.69) SMN1; SMN2ALDH1A1KDM4ETSHRMAPT
SCHEMBL1383235 0.83 SIGMAR1 (0.52) SMN1; SMN2ALDH1A1KDM4ETSHRGAA
SCHEMBL1383574 0.83 TSHR (0.45) SMN1; SMN2ALDH1A1KDM4ETSHRGAA

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
JP-4790704-B2 2011-10-12 JP claimed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US claimed
EP-1748987-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS Torrent Pharmaceuticals Ltd (IN) 2007-02-07 EP claimed
WO-2005097746-A2 2-PROPENE-1-ONES AS HSP 70 INDUCERS TORRENT PHARMACEUTICALS LTD (IN) 2005-10-20 WO 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 SMN1; SMN2 315/4885ALDH1A1 1129/4885KDM4E 4732/4885

“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.