SCHEMBL14099422

SCHEMBL14099422

c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc4ccccc34)c3nc4ccccc4nc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.40
KDM1A O60341 3/20 0.35
CYP1A2 P05177 1/20 0.34
MAOA P21397 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 2/20 0.33
CYP2A6 P11509 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GPR3 P46089 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL14099374 0.98 SIGMAR1 (0.41) SIGMAR1KDM1ACYP1A2MAOAALDH1A1
SCHEMBL14099253 0.91 KDM4E (0.36) SIGMAR1KDM1ACYP1A2MAOAALDH1A1
SCHEMBL14099420 0.88 SIGMAR1 (0.40) SIGMAR1CYP1A2ALDH1A1KDM4EL3MBTL1
SCHEMBL14492011 0.87 PRMT5 (0.40) SIGMAR1CYP1A2MAOAALDH1A1L3MBTL1
SCHEMBL14099377 0.86 SIGMAR1 (0.41) SIGMAR1CYP1A2ALDH1A1KDM4EL3MBTL1
SCHEMBL13250571 0.85 SIGMAR1 (0.47) SIGMAR1CYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL14099512 0.85 MAPT (0.42) CYP1A2ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2362015 0.85 SIGMAR1 (0.50) SIGMAR1CYP1A2ALDH1A1TSHRHSD17B10
SCHEMBL4891820 0.83 SIGMAR1 (0.46) SIGMAR1CYP1A2ALDH1A1KDM4ETSHR
SCHEMBL13250555 0.83 SIGMAR1 (0.49) SIGMAR1CYP1A2ALDH1A1TSHRHSD17B10

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 2031/4885KDM1A 1412/4885CYP1A2 2450/4885

“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.