SCHEMBL3428569

SCHEMBL3428569

COc1ccc2c(C(C)(C)C)nc(-c3nc(C(C)C)cs3)cc2c1C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.31
CYP1B1 Q16678 2/20 0.31
CYP1A2 P05177 1/20 0.31
CTSS P25774 1/20 0.31
PLAU P00749 1/20 0.31
MAPT P10636 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
APLNR P35414 4/20 0.30
KDM4E B2RXH2 2/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TYK2 P29597 1/20 0.30

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
SCHEMBL7945510 0.84 MAPT (0.34) CYP1A1CYP1B1CYP1A2CTSSPLAU
SCHEMBL12730967 0.84 APLNR (0.35) CYP1A1CYP1B1CTSSPLAUMAPT
SCHEMBL3478924 0.82 KDM4E (0.39) CYP1A1CYP1B1CTSSPLAUMAPT
SCHEMBL3427412 0.82 PLAU (0.33) CYP1A1CYP1B1CTSSPLAUMAPT
SCHEMBL3429820 0.81 CTSS (0.37) CYP1A1CYP1B1CYP1A2CTSSPLAU
SCHEMBL3429563 0.80 KDM4E (0.31) CTSSAPLNRKDM4EALDH1A1
SCHEMBL7944203 0.79 CTSS (0.40) CYP1A1CYP1B1CYP1A2CTSSPLAU
SCHEMBL883446 0.78 MAPT (0.38) CYP1A1CYP1B1CYP1A2CTSSPLAU
SCHEMBL13336763 0.77 CTSS (0.37) CYP1A1CYP1B1CYP1A2CTSSPLAU
SCHEMBL874861 0.76 CTSS (0.36) CYP1A1CYP1B1CYP1A2CTSSPLAU

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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP CYP1A1 2067/4885CYP1B1 972/4885CYP1A2 1009/4885

“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.