SCHEMBL5093473

SCHEMBL5093473

O=Cc1cc(N2CCOCC2)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.64
METAP1 P53582 2/20 0.57
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 5/20 0.53
GAA P10253 4/20 0.53
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSD17B10 Q99714 2/20 0.52
MAPT P10636 4/20 0.51
MOK Q9UQ07 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
PKM P14618 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ELANE P08246 1/20 0.50
AHR P35869 1/20 0.48
GLA P06280 2/20 0.48
PRKDC P78527 1/20 0.48
LMNA P02545 2/20 0.47

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
SCHEMBL27684620 0.83 NCF1 (0.57) NCF1METAP1KDM4EALDH1A1GAA
SCHEMBL24586523 0.83 MEN1 (0.56) NCF1KDM4EALDH1A1GAAHPGD
SCHEMBL31428686 0.78 MOK (0.53) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL24976095 0.78 MOK (0.53) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL5093588 0.78 NCF1 (1.00) NCF1METAP1KDM4EALDH1A1GAA
SCHEMBL4733419 0.78 NCF1 (0.74) NCF1METAP1KDM4EALDH1A1GAA
SCHEMBL4733334 0.78 NCF1 (1.00) NCF1METAP1KDM4EALDH1A1GAA
SCHEMBL5241851 0.78 NCF1 (0.64) NCF1METAP1KDM4EALDH1A1GAA
SCHEMBL31428429 0.76 ALDH1A1 (0.68) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL5101872 0.76 NCF1 (0.52) NCF1METAP1KDM4EALDH1A1HPGD

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 5 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 disclosed
US-20080207608-A1 2-Propene-1-Ones As Hsp 70 Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2008-08-28 US disclosed
CN-1964946-A 2-propen-1-ones as HSP 70 inducers TORRENT PHARMACEUTICALS LTD (IN) 2007-05-16 CN 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 NCF1 2333/4885METAP1 2777/4885KDM4E 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.