SCHEMBL822540

SCHEMBL822540

Cn1c(-c2ccccc2)nc2cc3ccccc3cc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 4/20 0.66
LMNA P02545 2/20 0.66
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
TP53 P04637 3/20 0.60
PKM P14618 3/20 0.60
HSD17B10 Q99714 3/20 0.60
GAA P10253 2/20 0.60
ALOX15 P16050 2/20 0.60
MAPT P10636 2/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
GLA P06280 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
ATM Q13315 1/20 0.57
KMT2A Q03164 3/20 0.51

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
SCHEMBL24295110 0.89 ATM (0.60) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL1104840 0.84 ATM (0.55) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL28395012 0.83 ATM (0.54) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL30060553 0.83 ATM (0.54) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL1104827 0.82 PDE10A (0.59) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL1104828 0.81 HDAC1 (0.64) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL1104822 0.81 ATM (0.55) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL1104834 0.81 NLRP3 (0.65) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL24477061 0.81 ESR1 (0.54) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL10644140 0.79 KDM4E (1.00) KDM4EALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590967-B1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS UDC IRELAND LTD (IE) 2019-05-15 EP 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-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 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
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 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-20120132899-A1 NITROGENATED HETEROCYCLIC RING DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME H1-2, L1CAM, H1-0 KDM4E 2763/4885ALDH1A1 191/4885LMNA 1507/4885
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 KDM4E 1835/4885ALDH1A1 1002/4885LMNA 4771/4885

“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.