SCHEMBL19213874

SCHEMBL19213874

Brc1ccc2c(c1)c1ccc3ccccc3c1n2-c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
PMM2 O15305 1/20 0.34
MPI P34949 1/20 0.34
PHOSPHO1 Q8TCT1 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 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
SCHEMBL22961223 0.92 MEN1 (0.38) CYP2A6MEN1KMT2ARXFP1RAB9A
SCHEMBL12126569 0.89 L3MBTL1 (0.41) CYP2A6MEN1KMT2ARXFP1RAB9A
SCHEMBL29433717 0.87 CYP2A6 (0.53) CYP2A6RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12362746 0.87 CYP2A6 (0.53) CYP2A6RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL15739283 0.86 CYP1A1 (0.35) CYP2A6MEN1KMT2ARAB9ANPC1
SCHEMBL30320226 0.85 CYP2A6 (0.48) CYP2A6MEN1KMT2ARXFP1RAB9A
SCHEMBL12698790 0.85 CYP2A6 (0.48) CYP2A6MEN1KMT2ARXFP1RAB9A
SCHEMBL13828805 0.85 KDM4E (0.41) CYP2A6RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL19213872 0.84 MEN1 (0.36) CYP2A6MEN1KMT2ARXFP1ALDH1A1
SCHEMBL18614889 0.84 CYP2A6 (0.47) CYP2A6MEN1KMT2ARXFP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10170707-B2 Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-01-01 US disclosed
US-20180145265-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-24 US disclosed
US-20180145265-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-24 US disclosed
US-20170229661-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 US disclosed
US-20170229661-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-08-10 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 (3 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-20170229661-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE RER1, LEF1, L1CAM CYP2A6 2305/4885MEN1 272/4885KMT2A 2006/4885
US-20180145265-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE RER1, LEF1, L1CAM CYP2A6 2305/4885MEN1 272/4885KMT2A 2006/4885
US-10170707-B2 Compound, material for organic electroluminescence element, organic electroluminescence element, and electronic device RER1, LEF1, L1CAM CYP2A6 2305/4885MEN1 272/4885KMT2A 2006/4885

“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.