SCHEMBL4894988

SCHEMBL4894988

CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3CCC(=O)NC)cc2n(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
PABPC1 P11940 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
ALOX5 P09917 2/20 0.33
GAA P10253 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RX7 Q99572 1/20 0.33
ALOX15 P16050 1/20 0.33
ALPL P05186 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
MPO P05164 1/20 0.33
PKM P14618 2/20 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
SCHEMBL4903775 0.92 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14067512 0.92 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4906060 0.90 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4897905 0.90 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14067541 0.90 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4575637 0.89 MPO (0.35) MEN1KMT2AP2RX7MPOLMNA
SCHEMBL14076857 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL4900371 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4894901 0.87 KDM4E (0.42) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL14067526 0.86 MEN1 (0.38) KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 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-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 ALDH1A1 2874/4885KDM4E 1139/4885MEN1 4841/4885

“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.