SCHEMBL1305451

SCHEMBL1305451

c1ccc(CNC(c2ccccc2)C(NCc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
SIGMAR1 Q99720 1/20 0.52
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
IDO1 P14902 2/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CASR P41180 1/20 0.46
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
GRM7 Q14831 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 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
SCHEMBL7189369 1.00 ACP3 (0.53) ACP3SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL14099897 1.00 ACP3 (0.53) ACP3SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL2189859 0.87 SIGMAR1 (0.55) ACP3SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL13191170 0.86 AOC3 (0.55) ACP3SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL17775606 0.86 DPP4 (0.48) ACP3SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL17465582 0.86 PLA2G1B (0.49) ACP3SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL5269591 0.86 AOC3 (0.55) ACP3SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL17314012 0.84 SIGMAR1 (0.52) ACP3SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL7385115 0.82 ACP3 (0.51) ACP3SMN1; SMN2SIGMAR1MEN1KMT2A
SCHEMBL2190756 0.82 SIGMAR1 (0.50) ACP3SMN1; SMN2SIGMAR1MEN1KMT2A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114899-B1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH & CIE (CH) 2010-09-22 EP claimed
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-04-22 US claimed
EP-2114899-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-11-11 EP claimed
WO-2008093272-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2008-08-07 WO claimed
EP-1970360-B1 Method for producing alcohols TAKASAGO PERFUMERY CO LTD (JP) 2016-08-31 EP disclosed
EP-2392400-B1 Homogeneous asymmetric hydrogenation method TAKASAGO PERFUMERY CO LTD (JP) 2014-05-07 EP disclosed
US-8586498-B2 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-11-19 US disclosed
US-8497400-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-30 US disclosed
US-8481791-B2 Homogeneous asymmetric hydrogenation process TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 US disclosed
EP-2392400-A2 Homogeneous asymmetric hydrogenation catalyst Takasago International Corporation (JP) 2011-12-07 EP disclosed
US-8053592-B2 Method for producing optically active α-ionone TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-11-08 US disclosed
US-20110118500-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE a-IONONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
EP-2095875-A1 Homogeneous asymmetric hydrogenation catalyst Takasago International Corporation (JP) 2009-09-02 EP disclosed
US-20090216039-A1 Method for Producing Optically Active Alpha-Ionone TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-27 US disclosed
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-08-13 US disclosed
US-7569735-B2 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature TAKASAGO INTERNATIONAL (JP) 2009-08-04 US disclosed
US-20080228012-A1 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature TAKASAGO INTERNATIONAL CORPORATION 2008-09-18 US disclosed
EP-1970360-A1 Method for producing alcohols Takasago International Corporation (JP) 2008-09-17 EP disclosed
WO-2008093272-A2 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES FIRMENICH SA (CH) 2008-08-07 WO disclosed
EP-1911516-A1 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2008-04-16 EP 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 (5 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-20110118500-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE a-IONONE INF2, HSD17B1, AGL ACP3 2080/4885SMN1; SMN2 3824/4885SIGMAR1 1984/4885
US-20090203927-A1 Homogeneous asymmetric hydrogenation catalyst HDHD5, HHAT, HACL2 ACP3 3342/4885SMN1; SMN2 2876/4885SIGMAR1 1852/4885
US-20080228012-A1 Reducing esters or lactones with hydrogen gas in presence of ruthenium catalyst; high yield and high catalytic efficiency under an industrially advantageous condition of relatively low hydrogen pressure and low reaction temperature LPXN, LIPE, MLX ACP3 745/4885SMN1; SMN2 4214/4885SIGMAR1 1460/4885
US-20090216039-A1 Method for Producing Optically Active Alpha-Ionone HSD17B1, ENO1, INF2 ACP3 2413/4885SMN1; SMN2 3731/4885SIGMAR1 1528/4885
US-20100098650-A1 CONTROLLED RELEASE OF ACTIVE ALDEHYDES AND KETONES FROM EQUILIBRATED DYNAMIC MIXTURES PKM, APEH, PLG ACP3 4022/4885SMN1; SMN2 2922/4885SIGMAR1 576/4885

“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.