SCHEMBL9611665

SCHEMBL9611665

Cn1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.75
KDM4E B2RXH2 9/20 0.75
RAB9A P51151 5/20 0.75
PKM P14618 4/20 0.75
TP53 P04637 4/20 0.75
HSD17B10 Q99714 4/20 0.75
NPC1 O15118 4/20 0.75
GAA P10253 3/20 0.75
ALOX15 P16050 2/20 0.75
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
HPGD P15428 6/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
MAPT P10636 3/20 0.71
LMNA P02545 2/20 0.71
HTT P42858 1/20 0.71
GFER P55789 1/20 0.71
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
RXFP1 Q9HBX9 1/20 0.65

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
SCHEMBL517706 0.96 MEN1 (0.77) ALDH1A1KDM4ERAB9APKMTP53
SCHEMBL20982597 0.94 ALDH1A1 (0.83) ALDH1A1KDM4ERAB9APKMTP53
SCHEMBL13784138 0.92 ALDH1A1 (0.65) ALDH1A1KDM4ERAB9APKMTP53
SCHEMBL19310495 0.91 ALDH1A1 (0.63) ALDH1A1KDM4ERAB9APKMTP53
SCHEMBL2242681 0.89 ALDH1A1 (0.75) ALDH1A1KDM4ERAB9APKMTP53
SCHEMBL21534533 0.89 ALDH1A1 (0.65) ALDH1A1KDM4ERAB9APKMTP53
SCHEMBL15228203 0.88 MEN1 (0.61) ALDH1A1KDM4ERAB9APKMTP53
SCHEMBL1104827 0.87 PDE10A (0.59) ALDH1A1KDM4ERAB9APKMTP53
SCHEMBL29528474 0.87 ALDH1A1 (0.58) ALDH1A1KDM4ERAB9APKMTP53
SCHEMBL16692123 0.86 ALDH1A1 (0.67) ALDH1A1KDM4ERAB9APKMTP53

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-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 US disclosed
US-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-05-31 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-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME H1-2, L1CAM, H1-0 ALDH1A1 191/4885KDM4E 2763/4885RAB9A 1663/4885

“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.