SCHEMBL4872710

SCHEMBL4872710

O=C(Cn1c(-c2ccc3nc(-c4c(F)cccc4F)ccc3c2)c(C2CCCCC2)c2sc(C(=O)O)cc21)Nc1nccs1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 2/20 0.34
GCK P35557 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 2/20 0.33
HTT P42858 1/20 0.32
EPHX2 P34913 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
SCHEMBL4868457 0.92 NPC1 (0.38) ALDH1A1PKMHSD17B10GCKSMN1; SMN2
SCHEMBL4872723 0.88 MAPT (0.40) ALDH1A1PKMHSD17B10KMT2ASMN1; SMN2
SCHEMBL14304736 0.88
SCHEMBL4877221 0.88 KCNA5 (0.36) ALDH1A1KMT2AGCKSMN1; SMN2EGFR
SCHEMBL4875208 0.87 AURKA (0.35) ALDH1A1PKMKMT2AGCKHTT
SCHEMBL4868472 0.87 KCNH2 (0.34) ALDH1A1PKMHSD17B10GCKEGFR
SCHEMBL4868332 0.84 ALDH1A1 (0.37) ALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL4877464 0.84 CYP2D6 (0.34)
SCHEMBL4875667 0.82 SMO (0.33) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4876592 0.81 DPP4 (0.32) ALDH1A1KMT2ASMN1; 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 ALDH1A1 1357/4885PKM 2658/4885HSD17B10 2844/4885

“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.