SCHEMBL14099250

SCHEMBL14099250

c1ccc(N(c2ccc3ccccc3c2)c2ccc(N(c3ccccc3)c3cccc4ccccc34)c3nc4c5ccccc5c5ccccc5c4nc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
DHFR P00374 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
SCHEMBL14099421 0.92 KDM4E (0.35) KDM4EALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL14099514 0.92 KDM4E (0.35) KDM4EALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL14099420 0.91 SIGMAR1 (0.40) SIGMAR1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL14099253 0.90 KDM4E (0.36) SIGMAR1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL14099377 0.89 SIGMAR1 (0.41) SIGMAR1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL17468436 0.86 SIGMAR1 (0.43) SIGMAR1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL11947025 0.85 ADORA2A (0.34) SIGMAR1KDM4EALDH1A1
SCHEMBL24702723 0.85 SIGMAR1 (0.42) SIGMAR1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4887864 0.85 SIGMAR1 (0.42) SIGMAR1KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL30343585 0.85 SIGMAR1 (0.42) SIGMAR1KDM4EALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1956011-A1 AMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2008-08-13 EP disclosed
US-20070132372-A1 AMINE BASED COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-06-14 US disclosed
US-20070132372-A1 AMINE BASED COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-06-14 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-20070132372-A1 AMINE BASED COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME KCNH2, SLC7A5, KCNH3 SIGMAR1 2031/4885KDM4E 1016/4885ALDH1A1 1210/4885

“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.