SCHEMBL4872088

SCHEMBL4872088

COc1ccc(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCC(O)CC4)ccc3n2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
DHODH Q02127 1/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
PDE4B Q07343 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE4D Q08499 1/20 0.33
SMPD3 Q9NY59 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
SCHEMBL4873748 0.96 KMT2A (0.41) KMT2AALDH1A1HPGDKDM4EGLA
SCHEMBL4874739 0.94 KMT2A (0.36) KMT2AALDH1A1HPGDKDM4EGLA
SCHEMBL4872438 0.94 TSHR (0.37) KMT2AALDH1A1HPGDKDM4EGLA
SCHEMBL4866862 0.93 KMT2A (0.36) KMT2AALDH1A1HPGDKDM4EMAPK1
SCHEMBL4878294 0.91 PIK3CA (0.37) KMT2AALDH1A1GAADHODHSMN1; SMN2
SCHEMBL4877302 0.91 PIK3CA (0.39) ALDH1A1MAPK1POLBLMNATSHR
SCHEMBL4877120 0.90 ALDH1A1 (0.34) KMT2AALDH1A1HPGDKDM4EGLA
SCHEMBL4872104 0.88 KDM4E (0.40) KMT2AALDH1A1HPGDKDM4EDHODH
SCHEMBL4868463 0.88 KMT2A (0.39) KMT2AALDH1A1HPGDKDM4EGAA
SCHEMBL4874058 0.88 ALDH1A1 (0.41) KMT2AALDH1A1HPGDKDM4EGAA

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-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 KMT2A 4254/4885ALDH1A1 1357/4885HPGD 2973/4885

“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.