SCHEMBL13966274

SCHEMBL13966274

Cc1ccc2c(OC(C)C)nc3ccccc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ ATM Q13315 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAOA P21397 1/20 0.42
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GPR3 P46089 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ BTK Q06187 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL13966276 0.94 MAPT (0.48) MAPTATMTSHRL3MBTL1MAOA
SCHEMBL13966259 0.85 ATM (0.56) MAPTATMTSHRL3MBTL1MAOA
SCHEMBL13966261 0.84 MAPT (0.47) MAPTATMTSHRL3MBTL1MEN1
SCHEMBL13966273 0.82 HTR4 (0.36) MAPTATMMEN1KMT2AKDM4E
SCHEMBL13966264 0.78 MAPT (0.47) MAPTATMTSHRL3MBTL1MEN1
SCHEMBL13966275 0.77 HTR4 (0.36) MAPTATMMEN1KMT2AKDM4E
SCHEMBL13966260 0.76 HTR4 (0.47) MAPTATMTSHRL3MBTL1KDM4E
SCHEMBL12610500 0.76 LMNA (0.62) MAPTATMTSHRL3MBTL1MEN1
SCHEMBL22490105 0.75 GPR3 (0.70) MAPTMAOAMEN1KMT2AKDM4E
SCHEMBL23271985 0.75 EPHX2 (0.40) MAPTATMTSHRMAOAMEN1

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-8951964-B2 Phenanthridine macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2015-02-10 — — US disclosed
US-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2012-11-22 — — 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-20120295842-A1 PHENANTHRIDINE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, HPN, PRSS1 MAPT 3503/4885ATM 4349/4885TSHR 3946/4885

“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.

Send feedback