SCHEMBL19320720

SCHEMBL19320720

CC(=O)c1c2c(n(C)c1I)CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ ALOX5 P09917 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ GRIA2 P42262 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 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
SCHEMBL19140752 0.81 MAPK1 (0.44) MAPK1KMT2AMAPTTDP1KDM4E
SCHEMBL12251825 0.67 ALOX5 (0.42) ALOX5PTGS1PTGS2RXFP1CYP1A2
SCHEMBL19140899 0.67 MAPK1 (0.51) MAPK1CYP1A2CYP2C9KMT2AMAPT
SCHEMBL18506668 0.65 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1CYP1A2
SCHEMBL18506694 0.65 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1CYP1A2
SCHEMBL19139674 0.65 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1CYP1A2
SCHEMBL22210756 0.65 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1CYP1A2
SCHEMBL22210771 0.65 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1CYP1A2
SCHEMBL21573718 0.65 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1CYP1A2
SCHEMBL18506667 0.65 ALOX5 (0.46) ALOX5PTGS1PTGS2RXFP1CYP1A2

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-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 — — 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-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR CPN1, HAT1, PRSS1 CRHBP 1463/4885CRHR2 1074/4885HIF1A 2699/4885

“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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