SCHEMBL4878294

SCHEMBL4878294

COc1ccccc1-c1ccc2cc(-c3c(C4CCCCC4)c4sc(C(=O)O)cc4n3CC(=O)N3CCC(O)CC3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.37
DHODH Q02127 2/20 0.34
SMO Q99835 5/20 0.34
EGFR P00533 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
KCNH2 Q12809 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 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
SCHEMBL4872088 0.91 KMT2A (0.36) DHODHALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL4877132 0.90 MAPT (0.35) SMOALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL4878306 0.90 PIK3CA (0.40) PIK3CADHODHSMOEGFRCCNT1
SCHEMBL4866862 0.89 KMT2A (0.36) PIK3CAALDH1A1KMT2A
SCHEMBL4878059 0.89 KDM4E (0.38) PIK3CADHODHCCNT1CDK9KCNH2
SCHEMBL4877302 0.89 PIK3CA (0.39) PIK3CASMOALDH1A1UBE2MDCUN1D1
SCHEMBL4873748 0.87 KMT2A (0.41) DHODHALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL4877120 0.87 ALDH1A1 (0.34) SMOALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL4875238 0.87 ALDH1A1 (0.39) SMOALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL4876718 0.87 ALDH1A1 (0.39) SMOALDH1A1GAAKMT2ASMN1; SMN2

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 PIK3CA 1299/4885DHODH 1087/4885SMO 4550/4885

“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.