SCHEMBL11909159

SCHEMBL11909159

COC(=O)c1ccc(N)c(NC[C@@H]2CCN(C(=O)O)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.47
▸ KDM4E B2RXH2 7/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ LNPEP Q9UIQ6 5/20 0.43
▸ ERAP2 Q6P179 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HTR4 Q13639 1/20 0.39

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
SCHEMBL29848332 0.87 IDO1 (0.51) PTGER4KDM4EKMT2AMEN1ALDH1A1
SCHEMBL23286972 0.84 PTGER4 (0.63) PTGER4KDM4EKMT2AMEN1ALDH1A1
SCHEMBL11909200 0.83 MAPT (0.48) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL11909199 0.83 MAPT (0.48) KDM4EKMT2AMEN1ALDH1A1MAPT
SCHEMBL27478656 0.81 PTGER4 (0.57) PTGER4KDM4EKMT2AMEN1ALDH1A1
SCHEMBL28754390 0.80 ALDH1A1 (0.45) PTGER4KDM4EKMT2AMEN1ALDH1A1
SCHEMBL28754451 0.80 ALDH1A1 (0.45) PTGER4KDM4EKMT2AMEN1ALDH1A1
SCHEMBL28754391 0.80 ALDH1A1 (0.45) PTGER4KDM4EKMT2AMEN1ALDH1A1
SCHEMBL11909187 0.79 GRIN2B (0.43) KMT2AMEN1HDAC1
SCHEMBL21681876 0.79 DRD2 (0.40) PTGER4KDM4EKMT2AMEN1ALDH1A1

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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 — — 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 PTGER4 2567/4885KDM4E 1624/4885KMT2A 2560/4885

“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.

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