SCHEMBL4964833

SCHEMBL4964833

CN(C)Cc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ REN P00797 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CACNB4 O00305 1/20 0.33
▸ CACNA1A O00555 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNG3 O60359 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNB3 P54284 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ CACNG7 P62955 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
SCHEMBL4962193 0.92 PKM (0.36) PKMRENKCNH2CACNB4CACNA1A
SCHEMBL4965046 0.91 HTR6 (0.37) HDAC1HDAC6MCHR1HDAC10HDAC8
SCHEMBL4962762 0.90 P2RX7 (0.33) PKMRENKCNH2CACNB4CACNA1A
SCHEMBL4962815 0.90 LMNA (0.33) PKMRENKCNH2CACNB4CACNA1A
SCHEMBL4966274 0.90 P2RX7 (0.33) PKMRENKCNH2CACNB4CACNA1A
SCHEMBL4965064 0.89 REN (0.34) PKMRENKCNH2CACNB4CACNA1A
SCHEMBL4963385 0.89 MEN1 (0.36) PKMMEN1KMT2AMAPTALDH1A1
SCHEMBL4962825 0.88 ALDH1A1 (0.36) MCHR1PKMRENKCNH2MEN1
SCHEMBL14506537 0.87 MEN1 (0.35) HDAC6HDAC10PKMKCNH2CACNB4
SCHEMBL5419724 0.86 KDM4E (0.43) PKMRENKCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 — — EP disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 — — 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP HDAC1 626/4885HDAC2 1062/4885HDAC6 1926/4885

“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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