SCHEMBL17071192

SCHEMBL17071192

c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5c6ccccc6c6c7ccccc7ccc6c54)c3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
NTSR1 P30989 1/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PTGES O14684 2/20 0.32
NQO2 P16083 1/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
FLT3 P36888 1/20 0.31

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
SCHEMBL17071282 0.97 HPGD (0.36) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL17071071 0.97 ALDH1A1 (0.37) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL17071120 0.93 ALDH1A1 (0.36) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL17071078 0.92 KDM4E (0.33) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL17071173 0.91 MAPT (0.40) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL17071068 0.91 MAPT (0.40) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL17071181 0.90 MEN1 (0.38) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL17071187 0.90 MAPT (0.39) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL17071223 0.90 MAPT (0.39) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL19036993 0.90 MEN1 (0.41) HPGDMEN1KMT2AALDH1A1MAPT

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-9837615-B2 Nitrogen-containing heterocyclic derivative, organic electroluminescence element material using same, and organic electroluminescence element and electronic device using same IDEMITSU KOSAN CO., LTD. (JP) 2017-12-05 US disclosed
US-9837615-B2 Nitrogen-containing heterocyclic derivative, organic electroluminescence element material using same, and organic electroluminescence element and electronic device using same IDEMITSU KOSAN CO., LTD. (JP) 2017-12-05 US disclosed
US-20150255726-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL USING SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-09-10 US disclosed
US-20150255726-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL USING SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-09-10 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 (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-20150255726-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL USING SAME, AND ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE USING SAME ODC1, DDC, ESD HPGD 476/4885MEN1 1011/4885KMT2A 750/4885

“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.