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SCHEMBL4159457

SCHEMBL4159457

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.39
▸ AKR1B1 P15121 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34

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
SCHEMBL4141256 0.90 TP53 (0.39) TP53AKR1B1RAB9AMEN1KMT2A
SCHEMBL4159448 0.89 TP53 (0.36) TP53AKR1B1RAB9AMEN1KMT2A
SCHEMBL4148600 0.88 TP53 (0.38) TP53AKR1B1RAB9AMEN1KMT2A
SCHEMBL4161830 0.88 TP53 (0.41) TP53AKR1B1RAB9AMEN1KMT2A
SCHEMBL4148766 0.85 TP53 (0.41) TP53AKR1B1RAB9AMEN1KMT2A
SCHEMBL4161758 0.84 TP53 (0.43) TP53AKR1B1RAB9AMEN1KMT2A
SCHEMBL4148598 0.84 TP53 (0.41) TP53AKR1B1RAB9AMEN1KMT2A
SCHEMBL4148650 0.82 TP53 (0.37) TP53AKR1B1RAB9AMEN1KMT2A
SCHEMBL4330842 0.80 TP53 (0.44) TP53AKR1B1RAB9AMEN1KMT2A
SCHEMBL4152957 0.80 MEN1 (0.39) TP53AKR1B1RAB9AMEN1KMT2A

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 1232/4885AKR1B1 2351/4885RAB9A 1733/4885
US-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR TP53 1169/4885AKR1B1 2290/4885RAB9A 1781/4885

“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.