SCHEMBL3494396

SCHEMBL3494396

CC(=O)N1CCN(C(=O)c2cn(Cc3ccc(F)cc3)c3cnc4c(=O)n(O)ccc4c23)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ LMNA P02545 2/20 0.38
▸ ENPP2 Q13822 1/20 0.37
▸ FSCN1 Q16658 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ PRKAA2 P54646 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3495940 0.92 MEN1 (0.43) POLBTP53LMNA
SCHEMBL3495640 0.78 IDO1 (0.38) POLBTP53LMNAFSCN1
SCHEMBL4964868 0.78 CYP19A1 (0.39) POLBTP53LMNATHRB
SCHEMBL4965332 0.78 CACNB4 (0.46) POLBLMNA
SCHEMBL14302885 0.77 ALDH1A1 (0.37) POLBTP53FSCN1THRB
SCHEMBL3494652 0.77 CACNB4 (0.40) POLBTHRBPRKAA2
SCHEMBL3496066 0.77 CACNB4 (0.40) ENPP2
SCHEMBL3496366 0.77 HDAC1 (0.38) POLBTP53LMNATHRB
SCHEMBL3495130 0.76 KMT2A (0.43) TP53LMNAENPP2L3MBTL1
SCHEMBL3497512 0.76 TP53 (0.45) POLBTP53FSCN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US claimed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP claimed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 — — EP claimed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — US claimed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 — — WO claimed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2010-06-03 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
US-7692014-B2 Inhibitors of the HIV integrase enzyme PFIZER, INC. (US) 2010-04-06 — — US disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1873155-A1 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-01-02 — — EP disclosed
EP-1751157-B1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER (US) 2007-10-03 — — EP disclosed
EP-1751157-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2007-02-14 — — EP disclosed
US-20050277661-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC. 2005-12-15 — — US disclosed
WO-2005103051-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. (US) 2005-11-03 — — 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 (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-20050277661-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP POLB 34/4885TP53 537/4885LMNA 3259/4885
US-20100137283-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP POLB 34/4885TP53 537/4885LMNA 3259/4885

“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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