SCHEMBL3431041

SCHEMBL3431041

CC(C)Oc1nc2c(-c3nc(C4CCCCC4)cs3)cccc2n1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
C1S P09871 1/20 0.35
IDO1 P14902 1/20 0.33
PLAT P00750 1/20 0.32
APLNR P35414 3/20 0.32
CCR5 P51681 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
AXL P30530 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
SCHEMBL10266425 0.91 C1S (0.36) C1SIDO1PLATAPLNRCCR5
SCHEMBL878222 0.85 IDO1 (0.36) C1SIDO1PLATAPLNRCCR5
SCHEMBL883060 0.85 C1S (0.39) C1SIDO1PLATAPLNRCCR5
SCHEMBL12730472 0.84 IDO1 (0.35) C1SIDO1PLATAPLNRTAAR1
SCHEMBL3429413 0.83 C1S (0.35) C1SIDO1PLATAPLNRCCR5
SCHEMBL1654372 0.82 AXL (0.35) C1SIDO1PLATAPLNRTAAR1
SCHEMBL1688346 0.79 NPC1 (0.36) PLATAPLNRTAAR1GABRA1GABRG2
SCHEMBL883042 0.77 C1S (0.33) C1SPLATAXL
SCHEMBL2624061 0.75 PLAT (0.38) PLATTAAR1AXL
SCHEMBL2624059 0.75 MAPK14 (0.33) APLNRGABRA1GABRG2GABRB3GABRA3

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 1 patent. 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

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 C1S 883/4885IDO1 517/4885PLAT 291/4885

“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.