SCHEMBL13966265

SCHEMBL13966265

COc1ccc2c(c1)c(OC(C)C)nc1cc(F)c(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ APP P05067 4/20 0.37
▸ TRPA1 O75762 2/20 0.36
▸ NQO2 P16083 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ICAM1 P05362 2/20 0.34
▸ SELE P16581 2/20 0.34
▸ VCAM1 P19320 1/20 0.34
▸ IDH2 P48735 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GPR35 Q9HC97 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ DYRK3 O43781 1/20 0.34

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
SCHEMBL13975913 0.87 APP (0.41) MAPTAPPTRPA1NQO2KDM4E
SCHEMBL13966266 0.86 MAPT (0.43) MAPTATMAPPTRPA1NQO2
SCHEMBL13966267 0.81 MAPT (0.41) MAPTATMAPPKDM4EALDH1A1
SCHEMBL13966270 0.79 MAPT (0.55) MAPTATMNQO2KDM4EALDH1A1
SCHEMBL13966272 0.78 TRPA1 (0.44) MAPTATMAPPTRPA1NQO2
SCHEMBL13976004 0.73 TRPV4 (0.41) TRPA1SMN1; SMN2
SCHEMBL13975868 0.73 TRPA1 (0.46) MAPTAPPTRPA1NQO2KDM4E
SCHEMBL13966278 0.70 TRPV4 (0.39) TRPA1SMN1; SMN2
SCHEMBL7474767 0.70 ACHE (0.41) MAPTATMAPPKDM4EALDH1A1
SCHEMBL13966377 0.69 KIF11 (0.38) MAPTATMKDM4EMEN1KMT2A

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
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
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 4349/4885APP 197/4885

“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.

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