SCHEMBL12623152

SCHEMBL12623152

CCc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cc(C(N)=O)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ ROCK2 O75116 2/20 0.34
▸ RORC P51449 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32

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
SCHEMBL12623160 0.94 HDAC1 (0.36) NPC1PTGDR2HDAC3HDAC1HDAC2
SCHEMBL12623282 0.91 PTGDR2 (0.33) NPC1PTGDR2HDAC3HDAC1HDAC2
SCHEMBL12623043 0.88 PTGDR2 (0.35) PTGDR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL12623041 0.88 PTGDR2 (0.33) PTGDR2RORCKDM4EMAPK1MAPT
SCHEMBL12623079 0.88 MAPT (0.37) PTGDR2RORCKDM4ELMNAMAPT
SCHEMBL12623637 0.87 PTGDR2 (0.33) PTGDR2ROCK2KDM4ELMNAPOLB
SCHEMBL12623144 0.87 PGR (0.35) PTGDR2RORCKDM4ELMNAMAPT
SCHEMBL12623400 0.87 MAP2K4 (0.36) NPC1PTGDR2HDAC1HDAC6PPARG
SCHEMBL862201 0.87 PPARG (0.38) NPC1PTGDR2ROCK2PPARGKDM4E
SCHEMBL12622989 0.86 MAPT (0.41) RORCKDM4ELMNAPOLBMAPK1

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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 NPC1 556/4885PTGDR2 2993/4885HDAC3 456/4885

“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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