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Sugi Predict / Compounds / SCHEMBL4480852

SCHEMBL4480852

SCHEMBL4480852

CCN(CC)C(=O)c1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CENPE Q02224 2/20 0.36
▸ AKR1B1 P15121 1/20 0.35
▸ SLC6A9 P48067 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ FSCN1 Q16658 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ EZH2 Q15910 1/20 0.33

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
SCHEMBL4501621 0.93 CENPE (0.39) CENPEAKR1B1SLC6A9KCNH2HTR2A
SCHEMBL4479511 0.92 AKR1B1 (0.36) CENPEAKR1B1KCNH2HTR2AGRM2
SCHEMBL31060990 0.92 AKR1B1 (0.36) CENPEAKR1B1KCNH2HTR2AGRM2
SCHEMBL4488414 0.91 AKR1B1 (0.35) CENPEAKR1B1KCNH2HTR2AGRM2
SCHEMBL13672787 0.89 AKR1B1 (0.38) AKR1B1HTR2AGRM2SMN1; SMN2FSCN1
SCHEMBL4473972 0.89 AKR1B1 (0.41) CENPEAKR1B1KCNH2SMN1; SMN2MAPT
SCHEMBL4496915 0.89 AKR1B1 (0.34) CENPEAKR1B1HTR2AGRM2FSCN1
SCHEMBL5446552 0.86 POLB (0.38) AKR1B1HTR2AGRM2FSCN1WDR5
SCHEMBL4478160 0.86 MEN1 (0.39) AKR1B1SMN1; SMN2FSCN1MAPT
SCHEMBL6032525 0.85 AKR1B1 (0.32) CENPEAKR1B1FSCN1KDM4EWDR5

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 — — US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 — — EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 — — WO claimed
WO-2005087767-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 — — WO claimed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 — — US disclosed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 — — US disclosed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 — — US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 — — US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 — — US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 — — US disclosed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 — — EP disclosed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 — — WO disclosed
WO-2005087767-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 — — WO 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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H CENPE 3362/4885AKR1B1 2248/4885SLC6A9 2067/4885

“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.