SCHEMBL13042845

SCHEMBL13042845

Cc1cccc2nc(-c3ccccc3)n(-c3ccc(-c4ccc5c(-c6ccccc6)c6cc(-c7ccc(-n8c(-c9ccccc9)nc9cccc(C)c98)cc7)ccc6c(-c6ccccc6)c5c4)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
HSP90AA1 P07900 1/20 0.43
ALDH1A1 P00352 9/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 1/20 0.40
DHODH Q02127 1/20 0.40
GAA P10253 2/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
AVPR1A P37288 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL13042803 0.99 MEN1 (0.45) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL13043059 0.98 MEN1 (0.42) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL13042994 0.91 MEN1 (0.44) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL13042930 0.90 MEN1 (0.46) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL26060790 0.88 ALDH1A1 (0.40) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL14582722 0.87 ALDH1A1 (0.47) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL24813298 0.86 ALDH1A1 (0.45) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL13042839 0.86 MEN1 (0.41) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL13042796 0.85 MEN1 (0.43) MEN1KMT2AMAPTHSP90AA1ALDH1A1
SCHEMBL13042989 0.84 MEN1 (0.39) MEN1KMT2AMAPTHSP90AA1ALDH1A1

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-7833632-B2 Nitrogenous heterocycle derivative, and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-11-16 US disclosed
US-7833632-B2 Nitrogenous heterocycle derivative, and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-11-16 US disclosed
US-20070200490-A1 Nitrogenous Heterocycle Derivative, And Organic Electroluminescent Element Employing The Same IDEMITSU KASON CO.LTD (JP) 2007-08-30 US disclosed
US-20070200490-A1 Nitrogenous Heterocycle Derivative, And Organic Electroluminescent Element Employing The Same IDEMITSU KASON CO.LTD (JP) 2007-08-30 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-20070200490-A1 Nitrogenous Heterocycle Derivative, And Organic Electroluminescent Element Employing The Same RPS3A, NCOA3, HNRNPA0 MEN1 2041/4885KMT2A 529/4885MAPT 4087/4885

“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.