SCHEMBL18388620

SCHEMBL18388620

Nn1c2ccccc2c2cc(N(c3ccccc3)c3ccccc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HBB P68871 1/20 0.39
▸ ATM Q13315 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 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
SCHEMBL17622363 0.95 ALDH1A1 (0.47) KDM4EALDH1A1MAPTL3MBTL1TDP1
SCHEMBL19268911 0.85 KDM4E (0.39) KDM4EALDH1A1MAPTL3MBTL1TDP1
SCHEMBL19268418 0.84 L3MBTL1 (0.47) KDM4EALDH1A1MAPTL3MBTL1TDP1
SCHEMBL12559383 0.83 GPR3 (0.55) KDM4EALDH1A1MAPTL3MBTL1TDP1
SCHEMBL12249804 0.83 GPR3 (0.55) KDM4EALDH1A1MAPTL3MBTL1TDP1
SCHEMBL23052975 0.83 KDM4E (0.38) KDM4EALDH1A1MAPTL3MBTL1TDP1
SCHEMBL17265852 0.83 KDM4E (0.38) KDM4EALDH1A1MAPTL3MBTL1TDP1
SCHEMBL19268417 0.82 TSPO (0.43) KDM4EALDH1A1MAPTL3MBTL1TDP1
SCHEMBL10042885 0.81 KDM4E (0.60) KDM4EALDH1A1MAPTL3MBTL1TDP1
SCHEMBL13301592 0.81 KDM4E (0.55) KDM4EALDH1A1MAPTL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS THE SCRIPPS RESEARCH INSTITUTE 2020-10-08 — — US disclosed
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 — — US disclosed
WO-2017011531-A2 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-19 — — WO 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-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS ALDH1A2, DDT, CLTB KDM4E 3074/4885ALDH1A1 11/4885MAPT 649/4885
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS CYBA, DDT, DRD1 KDM4E 2858/4885ALDH1A1 19/4885MAPT 640/4885

“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.

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