SCHEMBL4903178

SCHEMBL4903178

CCNC(=O)OCc1cc(F)ccc1Cc1cnc2c(OC(=O)c3ccccc3)c(C(=O)OCC)c(=O)n(C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.34
THRB P10828 2/20 0.34
NPC1 O15118 2/20 0.34
ALOX15 P16050 1/20 0.34
POLB P06746 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PABPC1 P11940 1/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL4908683 0.91 GRM5 (0.36) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL4898051 0.91 TSHR (0.36) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL14067482 0.90 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL4901376 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL4901002 0.89 TSHR (0.35) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL4901065 0.89 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL4901163 0.88 THRB (0.37) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL4904758 0.88 THRB (0.37) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL4901321 0.88 THRB (0.35) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL14067449 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2ATSHR

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.