Sugi Predict

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SCHEMBL4148650

SCHEMBL4148650

CC(c1cn2c(c(O)c1=O)C(=O)N(Cc1ccc(F)cc1)CC2)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ AKR1B1 P15121 1/20 0.36
▸ RAB9A P51151 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ MAPT P10636 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
SCHEMBL4148598 0.91 TP53 (0.41) TP53MEN1KMT2AAKR1B1RAB9A
SCHEMBL4161830 0.85 TP53 (0.41) TP53MEN1KMT2AAKR1B1RAB9A
SCHEMBL4159457 0.82 TP53 (0.39) TP53MEN1KMT2AAKR1B1RAB9A
SCHEMBL4148766 0.82 TP53 (0.41) TP53MEN1KMT2AAKR1B1RAB9A
SCHEMBL4161758 0.81 TP53 (0.43) TP53MEN1KMT2AAKR1B1RAB9A
SCHEMBL4149332 0.80 KCNH2 (0.39) TP53MEN1KMT2AAKR1B1RAB9A
SCHEMBL4141256 0.79 TP53 (0.39) TP53MEN1KMT2AAKR1B1RAB9A
SCHEMBL4159448 0.78 TP53 (0.36) TP53MEN1KMT2AAKR1B1RAB9A
SCHEMBL4148600 0.77 TP53 (0.38) TP53MEN1KMT2AAKR1B1RAB9A
SCHEMBL4330842 0.77 TP53 (0.44) TP53MEN1KMT2AAKR1B1RAB9A

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 9 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
EP-1725554-A1 HIV INTEGRASE INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2006-11-29 — — EP claimed
WO-2005087766-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-09-22 — — WO 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 TP53 1232/4885MEN1 4138/4885KMT2A 552/4885
US-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR TP53 1169/4885MEN1 4093/4885KMT2A 604/4885

“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.