SCHEMBL14870570

SCHEMBL14870570

COc1cc(/C=C/C(=O)N(C)Cc2ccccc2)ccc1-n1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.52
ACHE P22303 5/20 0.52
MAOA P21397 3/20 0.52
MAOB P27338 3/20 0.52
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
APP P05067 4/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
AAK1 Q2M2I8 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
AKR1C3 P42330 1/20 0.42

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
SCHEMBL1237487 0.84 KDM4E (0.57) ACHEMAPK1KMT2AALDH1A1CYP19A1
SCHEMBL1237489 0.84 KDM4E (0.57) ACHEMAPK1KMT2AALDH1A1CYP19A1
SCHEMBL14870573 0.82 KDM4E (0.55) MAOAMAOBAPPALDH1A1
SCHEMBL14873206 0.80 KDM4E (0.48) BCHEACHEMAOAMAOBKMT2A
SCHEMBL2823206 0.78 ALDH1A1 (0.51) MAOAMAOBAPPALDH1A1
SCHEMBL2823209 0.78 ALDH1A1 (0.51) MAOAMAOBAPPALDH1A1
SCHEMBL14870571 0.78 PSEN1 (0.52) BCHEACHEALDH1A1CYP19A1CYP11B1
SCHEMBL12712438 0.78 KDM4E (0.48) BCHEACHEMAOAMAOBAPP
SCHEMBL14870583 0.76 TAOK1 (0.49) MAPK1KMT2AALDH1A1CYP19A1CYP11B1
SCHEMBL14870580 0.76 ALDH1A1 (0.52) KMT2AALDH1A1CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130095068-A1 AGENT FOR TREATING HCV INFECTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-18 US disclosed
US-20130095068-A1 AGENT FOR TREATING HCV INFECTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-18 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-20130095068-A1 AGENT FOR TREATING HCV INFECTION EIF2AK2, IRF3, IFNAR1 BCHE 3740/4885ACHE 4505/4885MAOA 4471/4885

“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.