SCHEMBL12623613

SCHEMBL12623613

Cc1cc2c3c4cccnc4oc(=O)c3n(Cc3ccc4ccccc4c3)c2cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.41
▸ PTGDR2 Q9Y5Y4 3/20 0.38
▸ NQO1 P15559 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ PTGER3 P43115 1/20 0.33
▸ VDR P11473 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TNIK Q9UKE5 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ CYP19A1 P11511 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
SCHEMBL12624639 0.85 MAPT (0.40) ALDH1A1MAPTTP53
SCHEMBL12623118 0.84 MCL1 (0.45) MCL1PTGDR2FAAHALDH1A1SMN1; SMN2
SCHEMBL12623594 0.84 GRIN1 (0.36) PTGDR2ALDH1A1TNIKPIM1PIM2
SCHEMBL12623636 0.84 PTGDR2 (0.35) PTGDR2ALDH1A1MAPTTP53RXFP1
SCHEMBL12623690 0.83 PDE4A (0.35) PTGDR2SMN1; SMN2PIM1PIM2
SCHEMBL12623316 0.82 CYP2C8 (0.50) FAAHMAPTPIM1PIM2
SCHEMBL10257060 0.82 PPARG (0.35) PTGDR2SMN1; SMN2MAPTTP53
SCHEMBL12623598 0.81 PPARG (0.31) PTGDR2
SCHEMBL12623643 0.81 ALOX15 (0.39) ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL12623699 0.81 KDM4E (0.36) ALDH1A1MAPT

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 MCL1 291/4885PTGDR2 2993/4885NQO1 2305/4885

“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