SCHEMBL17445384

SCHEMBL17445384

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(c7ccccc7c54)c4ccccc4c4c6c5ccccc5n4-c4ccc5ccccc5c4)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 5/20 0.39
MAPT P10636 5/20 0.39
NTSR1 P30989 1/20 0.39
KDM4E B2RXH2 3/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33

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
SCHEMBL17445480 0.93 KMT2A (0.44) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL17445372 0.92 MAPT (0.39) CYP1A1CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL17445479 0.92 KMT2A (0.47) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL19046670 0.91 KMT2A (0.42) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL19046673 0.91 KMT2A (0.42) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL23370506 0.90 CYP1A1 (0.37) CYP1A1CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL23370509 0.90 CYP1A1 (0.37) CYP1A1CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL23370557 0.90 CYP1A1 (0.42) CYP1A1CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL23370460 0.90 CYP1A1 (0.42) CYP1A1CYP1B1KMT2AMEN1ALDH1A1
SCHEMBL17451674 0.89 KMT2A (0.45) KMT2AMEN1ALDH1A1HPGDMAPT

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-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 US disclosed
US-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 US disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 US disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 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 (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-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 CYP1A1 3055/4885CYP1B1 4032/4885KMT2A 569/4885

“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.