SCHEMBL13975913

SCHEMBL13975913

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.41
▸ TRPA1 O75762 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ VDR P11473 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ NR1I3 Q14994 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL13966265 0.87 MAPT (0.43) APPTRPA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13975868 0.84 TRPA1 (0.46) APPTRPA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13975120 0.78 PPM1A (0.44) APPKDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL15669003 0.76 KDM4E (0.44) APPTRPA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13975115 0.76 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL13975869 0.75 TRPA1 (0.49) APPTRPA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13966266 0.73 MAPT (0.43) APPTRPA1KDM4EALDH1A1NPSR1
SCHEMBL13975867 0.73 TRPV4 (0.43) TRPA1SMN1; SMN2LMNACYP1A2CYP3A4
SCHEMBL8145986 0.70 NPSR1 (0.48) APPKDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL8149547 0.70 ACHE (0.47) APPTRPA1KDM4EALDH1A1SMN1; 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 APP 197/4885TRPA1 3785/4885KDM4E 2301/4885

“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