SCHEMBL5427742

SCHEMBL5427742

COCCCc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ LMNA P02545 4/20 0.32
▸ HTT P42858 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ FSCN1 Q16658 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CACNB4 O00305 1/20 0.32
▸ CACNA1A O00555 1/20 0.32
▸ CACNA1G O43497 1/20 0.32

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
SCHEMBL5421018 0.95 PKM (0.33) PKMKMT2AMEN1HDAC10HDAC6
SCHEMBL5427942 0.89 CYP11B1 (0.40) PKMKMT2AMEN1CYP11B1CYP11B2
SCHEMBL4964409 0.89 CYP2D6 (0.32) PKMKMT2AMEN1HDAC10HDAC6
SCHEMBL4962798 0.89 PKM (0.34) PKMKMT2AMEN1HDAC10HDAC6
SCHEMBL5434685 0.88 PPARD (0.34) PKMKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL4962838 0.87 CACNB4 (0.35) PKMKMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL14506537 0.87 MEN1 (0.35) PKMKMT2AMEN1HDAC10HDAC6
SCHEMBL4962825 0.87 ALDH1A1 (0.36) PKMKMT2AMEN1ALDH1A1CYP2D6
SCHEMBL5424471 0.86 PKM (0.33) PKMKMT2AMEN1CYP11B1CYP11B2
SCHEMBL4965046 0.86 HTR6 (0.37) PKMKMT2AMEN1HDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PKM 1971/4885KMT2A 1367/4885MEN1 4787/4885

“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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