SCHEMBL19268417

SCHEMBL19268417

Nn1c2ccccc2c2cc(-c3ccc(N(c4ccccc4)c4ccc(O)cc4)cc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 5/20 0.43
▸ MMP3 P08254 1/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ESR1 P03372 5/20 0.35
▸ ESR2 Q92731 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DNM1 Q05193 1/20 0.33
▸ HSD17B1 P14061 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
SCHEMBL19269318 0.96 MMP3 (0.40) TSPOMMP3BCL2L1MEN1KMT2A
SCHEMBL19269353 0.92 ESR1 (0.39) TSPOMMP3BCL2L1MEN1KMT2A
SCHEMBL12037168 0.84 KDM4E (0.49) TSPOMMP3BCL2L1MEN1KMT2A
SCHEMBL12037202 0.83 TSPO (0.45) TSPOMMP3BCL2L1MEN1KMT2A
SCHEMBL18388620 0.82 KDM4E (0.42) TSPOMEN1KMT2AMAPTKDM4E
SCHEMBL19268911 0.81 KDM4E (0.39) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL12776851 0.81 TSPO (0.48) TSPOMEN1KMT2AMAPTKDM4E
SCHEMBL25659396 0.79 KDM4E (0.42) TSPOMEN1KMT2AMAPTKDM4E
SCHEMBL18564859 0.79 GPR3 (0.50) TSPOMEN1KMT2AMAPTKDM4E
SCHEMBL17051453 0.79 GPR3 (0.50) TSPOMEN1KMT2AMAPTKDM4E

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 2 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

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 TSPO 2806/4885MMP3 2595/4885BCL2L1 2126/4885
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS CYBA, DDT, DRD1 TSPO 2869/4885MMP3 3827/4885BCL2L1 2193/4885

“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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