SCHEMBL13508077

SCHEMBL13508077

CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2c4sc5cc(N(c6ccccc6)c6ccc(C(C)(C)C)cc6)ccc5c4c4ccccc4c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TNKS O95271 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ KIF11 P52732 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ PMM2 O15305 1/20 0.32
▸ MPI P34949 1/20 0.32
▸ PHOSPHO1 Q8TCT1 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TNF P01375 1/20 0.31
▸ NOD1 Q9Y239 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL13508004 0.97 TNKS (0.35) MEN1KMT2ANPSR1RAB9ATNKS
SCHEMBL17658312 0.93 MEN1 (0.32) MEN1KMT2ANPSR1RAB9ATNKS
SCHEMBL13508072 0.89 ALDH1A1 (0.37) MEN1KMT2ANPSR1RAB9ATNKS
SCHEMBL13506879 0.88 CYP2D6 (0.33) MEN1KMT2ANPSR1RAB9AKIF11
SCHEMBL16153207 0.86 — —
SCHEMBL13507643 0.85 KDM4E (0.33) MEN1KMT2ANPSR1RAB9ATNKS
SCHEMBL17658293 0.84 TNKS (0.32) TNKSTNKS2CYP2D6
SCHEMBL17658365 0.84 NR1I2 (0.33) TNKSTNKS2CYP2D6
SCHEMBL13507873 0.83 LIMK1 (0.41) MEN1KMT2ANPSR1TNKSTNKS2
SCHEMBL25999451 0.83 TSHR (0.32) TNKSTNKS2KIF11TNFNOD1

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-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — US disclosed
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — 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-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 MEN1 3888/4885KMT2A 2843/4885NPSR1 3671/4885

“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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