SCHEMBL9971798

SCHEMBL9971798

c1ccc(N(c2ccccc2)c2cccc(-c3cc4c5ccccc5c(-c5cccc(N(c6ccccc6)c6ccccc6)c5)cc4c4ccccc34)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRD4 O60885 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MPI P34949 1/20 0.35
CYP11B1 P15538 1/20 0.33
ATM Q13315 2/20 0.32

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
SCHEMBL13658706 0.88 ALDH1A1 (0.40) HPGDMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL23471788 0.87 CYP11B1 (0.47) HPGDMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL19998677 0.87 CYP11B1 (0.47) HPGDMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL26062188 0.86 HPRT1 (0.40) HPGDALDH1A1KDM4EMAPTTDP1
SCHEMBL26062123 0.86 HPRT1 (0.40) HPGDALDH1A1KDM4EMAPTTDP1
SCHEMBL26062253 0.85 HPRT1 (0.39) HPGDALDH1A1KDM4EMAPTTDP1
SCHEMBL26062147 0.85 HPRT1 (0.39) HPGDALDH1A1KDM4EMAPTTDP1
SCHEMBL26062251 0.85 HPRT1 (0.39) HPGDALDH1A1KDM4EMAPTTDP1
SCHEMBL12153417 0.85 CYP1A2 (0.38) ALDH1A1KDM4EMAPTL3MBTL1TDP1
SCHEMBL9888952 0.85 CYP1A2 (0.38) ALDH1A1KDM4EMAPTL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-07-21 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-06-24 US disclosed
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 US disclosed
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2007-06-21 US 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 (4 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-20110175521-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 HPGD 3294/4885MAPK1 1300/4885HTT 4488/4885
US-20100160687-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 HPGD 3294/4885MAPK1 1300/4885HTT 4488/4885
US-20120153815-A1 ORGANIC ELECTROLUMINESCENCE DEVICE ARL1, RIF1, EML4 HPGD 4721/4885MAPK1 1092/4885HTT 1675/4885
US-20070142671-A1 ORGANIC ELECTROLUMESCENCE DEVICE SCO2, CHRM1, CHRM4 HPGD 3294/4885MAPK1 1300/4885HTT 4488/4885

“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.