SCHEMBL13975869

SCHEMBL13975869

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPK14 Q16539 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AMY1A P0DUB6 1/20 0.41
▸ APP P05067 1/20 0.40
▸ ITK Q08881 1/20 0.40
▸ PPM1A P35813 1/20 0.40
▸ PLA2G2A P14555 1/20 0.40

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
SCHEMBL13975767 0.90 HTR4 (0.41) TRPA1ALDH1A1PLA2G2ACYP1A2CYP3A4
SCHEMBL13975868 0.88 TRPA1 (0.46) TRPA1KDM4EALDH1A1NPSR1MAPT
SCHEMBL13966272 0.87 TRPA1 (0.44) TRPA1KDM4EALDH1A1NPSR1MAPT
SCHEMBL13975119 0.87 TRPA1 (0.40) TRPA1KDM4EALDH1A1NPSR1MAPT
SCHEMBL13975766 0.83 PKM (0.48) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL13975115 0.82 ALDH1A1 (0.53) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL13976005 0.81 TRPA1 (0.40) TRPA1KDM4EALDH1A1NPSR1MAPT
SCHEMBL13975118 0.81 TRPV4 (0.43) TRPA1SMN1; SMN2NPC1LMNARAB9A
SCHEMBL13976026 0.81 HTR4 (0.50) TRPA1ALDH1A1MAPTPOLBCYP1A2
SCHEMBL15669003 0.79 KDM4E (0.44) TRPA1KDM4EALDH1A1NPSR1MAPT

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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