Sugi Predict

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SCHEMBL4157924

SCHEMBL4157924

Cc1c(C(C)N2CCCC2)c(=O)c(O)c2n1CCN(Cc1ccc(F)cc1)C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.40
▸ GRM2 Q14416 1/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ LMNA P02545 4/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 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
SCHEMBL4149332 0.91 KCNH2 (0.39) KCNH2GRM2TP53CYP2D6HRH3
SCHEMBL4144158 0.80 GRM2 (0.50) KCNH2GRM2TP53CYP2D6HRH3
SCHEMBL4148598 0.79 TP53 (0.41) KCNH2GRM2TP53MEN1KMT2A
SCHEMBL16185300 0.75 TP53 (0.39) KCNH2GRM2TP53CYP2D6HRH3
SCHEMBL3902833 0.74 GRM2 (0.47) KCNH2GRM2TP53CYP2D6HRH3
SCHEMBL17547427 0.73 TP53 (0.41) KCNH2GRM2TP53CYP2D6HRH3
SCHEMBL4153055 0.72 GRM2 (0.51) KCNH2GRM2TP53CYP2D6HRH3
SCHEMBL2890924 0.72 KCNH2 (0.45) KCNH2GRM2TP53CYP2D6HRH3
SCHEMBL4156706 0.71 KCNH2 (0.43) KCNH2GRM2TP53CYP2D6HRH3
SCHEMBL4153120 0.71 GRM2 (0.43) KCNH2GRM2TP53CYP2D6HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 — — US claimed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 — — US disclosed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 — — US disclosed
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 — — US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 — — US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 — — US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 — — 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 (2 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-20070161639-A1 Hiv integrase inhibitors DPYD, DUT, TYMP KCNH2 666/4885GRM2 3168/4885TP53 1232/4885
US-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR KCNH2 722/4885GRM2 3764/4885TP53 1169/4885

“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.