SCHEMBL22255649

SCHEMBL22255649

c1ccc(-c2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5sc6ccccc6c45)cc3)ccc3ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
PPARG P37231 7/20 0.31
PPARA Q07869 7/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TNF P01375 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
PPARD Q03181 1/20 0.31
NQO1 P15559 1/20 0.30
NQO2 P16083 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR5 Q9H228 1/20 0.30
CYP1A2 P05177 1/20 0.30
ENPP1 P22413 2/20 0.30
MCL1 Q07820 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
SCHEMBL21206083 1.00 F9 (0.34) F9CA12CA1CA2CA9
SCHEMBL22255618 0.97 F9 (0.33) F9NQO1NQO2ENPP1
SCHEMBL21206078 0.96 NQO1 (0.32) F9NQO1NQO2
SCHEMBL21203307 0.96 NQO1 (0.32) F9NQO1NQO2
SCHEMBL22255655 0.96 NQO1 (0.32) F9NQO1NQO2
SCHEMBL22255620 0.95 F9 (0.32) F9NQO1NQO2
SCHEMBL21206186 0.93 F9 (0.39) F9CA12CA1CA2CA9
SCHEMBL22255654 0.93 F9 (0.32) F9NQO1NQO2
SCHEMBL21214807 0.92 F9 (0.39) F9CA12CA1CA2CA9
SCHEMBL22255623 0.91 F9 (0.32) F9NQO1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200235297-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-23 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-20200235297-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC18A2, SLC18A1, MAOA F9 2570/4885CA12 4498/4885CA1 4298/4885

“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.