SCHEMBL17299536

SCHEMBL17299536

c1ccc(-n2c3ccccc3c3ccc4ccc5c6ccccc6sc5c4c32)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ KRAS P01116 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MIF P14174 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ MAT2A P31153 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 2/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ DRD4 P21917 2/20 0.31
▸ DRD3 P35462 2/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ SLC6A2 P23975 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
SCHEMBL17246426 0.89 KMT2A (0.36) ALDH1A1KDM4EGAAKRASKMT2A
SCHEMBL15126699 0.84 MAT2A (0.32) ALDH1A1KMT2AMAT2AMAPTPOLB
SCHEMBL15126498 0.83 ALDH1A1 (0.34) ALDH1A1KDM4EGAAACHEMAT2A
SCHEMBL17246468 0.83 KMT2A (0.35) ALDH1A1KDM4EGAAKMT2AMIF
SCHEMBL17246469 0.83 KMT2A (0.35) ALDH1A1KDM4EGAAKRASKMT2A
SCHEMBL17299469 0.82 KRAS (0.36) ALDH1A1KDM4EKRASMIFGABRA1
SCHEMBL17246579 0.81 KMT2A (0.34) ALDH1A1KDM4EGAAKRASKMT2A
SCHEMBL17299396 0.81 ATM (0.45) ALDH1A1KDM4EGAAKMT2AMAPT
SCHEMBL15126967 0.81 ALDH1A1 (0.34) ALDH1A1KDM4EGAAACHEMAT2A
SCHEMBL17246379 0.81 KMT2A (0.31) ALDH1A1KDM4EKMT2AMAPTMEN1

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-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-06-19 — — US disclosed
US-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-06-19 — — US disclosed
US-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-03 — — US disclosed
US-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-03 — — 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 (2 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-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF ORAI2, ESR1, OR10J3 ALDH1A1 1715/4885KDM4E 636/4885GAA 1920/4885
US-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof ORAI2, ESR1, OR10J3 ALDH1A1 1715/4885KDM4E 636/4885GAA 1920/4885

“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.

Send feedback