SCHEMBL21787147

SCHEMBL21787147

CC(C)NC(CCCCNC(C)S)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.39
▸ TSHR P16473 1/20 0.37
▸ NPY1R P25929 2/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ MMP2 P08253 6/20 0.37
▸ MMP3 P08254 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HPGDS O60760 1/20 0.35

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
SCHEMBL21787144 0.91 ALDH1A1 (0.43) MMETSHRNPY1RNPY5RPOLB
SCHEMBL21081674 0.91 ALDH1A1 (0.43) MMETSHRNPY1RNPY5RPOLB
SCHEMBL21787357 0.86 HTR2A (0.44) MMETSHRNPY1RNPY5RPOLB
SCHEMBL24677905 0.85 TSHR (0.39) MMETSHRNPY1RNPY5RPOLB
SCHEMBL22799503 0.84 KDM1A (0.40) MMETSHRNPY1RNPY5RPOLB
SCHEMBL24221036 0.82 OPRK1 (0.36) MMETSHRNPY1RNPY5RPOLB
SCHEMBL23052535 0.81 MME (0.43) MMETSHRNPY1RNPY5RPOLB
SCHEMBL21081697 0.81 MME (0.43) MMETSHRNPY1RNPY5RPOLB
SCHEMBL21081676 0.81 KDM1A (0.38) MMETSHRNPY1RNPY5RPOLB
SCHEMBL21081701 0.80 MME (0.35) MMETSHRNPY1RNPY5RPOLB

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-20200069810-A1 THERAPEUTIC DENDRIMERS ASTRAZENECA PHARMACEUTICALS LP 2020-03-05 — — 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-20200069810-A1 THERAPEUTIC DENDRIMERS CD44, ITGAV, FOLR1 MME 2475/4885TSHR 2456/4885NPY1R 3400/4885

“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.

Send feedback