SCHEMBL13975868

SCHEMBL13975868

COc1ccc2c(c1)c(OC)nc1cc(F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ENPP1 P22413 1/20 0.41
▸ APP P05067 5/20 0.41
▸ TRPV4 Q9HBA0 2/20 0.41
▸ AMY1A P0DUB6 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ ITK Q08881 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ UBE2N P61088 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.38

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
SCHEMBL13975869 0.88 TRPA1 (0.49) TRPA1KDM4EALDH1A1MAPTHPGD
SCHEMBL13975867 0.87 TRPV4 (0.43) TRPA1TRPV4SMN1; SMN2NPC1
SCHEMBL13966266 0.87 MAPT (0.43) TRPA1KDM4EALDH1A1MAPTHPGD
SCHEMBL13975913 0.84 APP (0.41) TRPA1KDM4EALDH1A1MAPTHPGD
SCHEMBL13976026 0.84 HTR4 (0.50) TRPA1ALDH1A1MAPT
SCHEMBL13975767 0.83 HTR4 (0.41) TRPA1ALDH1A1TRPV4
SCHEMBL13976005 0.81 TRPA1 (0.40) TRPA1KDM4EALDH1A1MAPTHPGD
SCHEMBL13975118 0.81 TRPV4 (0.43) TRPA1TRPV4SMN1; SMN2NPC1
SCHEMBL13975120 0.81 PPM1A (0.44) KDM4EALDH1A1NPSR1APPKMT2A
SCHEMBL13975112 0.79 PKM (0.48) KDM4EMAPTHPGDSMN1; SMN2

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 3785/4885KDM4E 2301/4885ALDH1A1 2293/4885

“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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