SCHEMBL13966272

SCHEMBL13966272

COc1ccc2c(c1)nc(OC(C)C)c1ccc(F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK14 Q16539 1/20 0.39
▸ ENPP1 P22413 1/20 0.38
▸ PPM1A P35813 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ AMY1A P0DUB6 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ITK Q08881 1/20 0.37
▸ IDH2 P48735 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ APP P05067 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL13966266 0.89 MAPT (0.43) TRPA1MAPTATMKDM4EALDH1A1
SCHEMBL13966262 0.89 HTR4 (0.39) MAPTATMPPM1A
SCHEMBL13975869 0.87 TRPA1 (0.49) TRPA1MAPTKDM4EALDH1A1NPSR1
SCHEMBL13966277 0.86 TRPV4 (0.39) TRPA1PPM1ASMN1; SMN2NPC1LMNA
SCHEMBL13966270 0.85 MAPT (0.55) MAPTATMKDM4EALDH1A1NPSR1
SCHEMBL13966261 0.82 MAPT (0.47) TRPA1MAPTATMKDM4EMEN1
SCHEMBL13966273 0.81 HTR4 (0.36) MAPTATMKDM4EMEN1KMT2A
SCHEMBL13966278 0.81 TRPV4 (0.39) TRPA1PPM1ASMN1; SMN2NPC1LMNA
SCHEMBL13966260 0.80 HTR4 (0.47) TRPA1MAPTATMKDM4EALDH1A1
SCHEMBL13966265 0.78 MAPT (0.43) TRPA1MAPTATMKDM4EALDH1A1

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 TRPA1 3785/4885MAPT 3503/4885ATM 4349/4885

“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