SCHEMBL11909200

SCHEMBL11909200

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPBWR1 P48145 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ THRB P10828 3/20 0.43
▸ VCAM1 P19320 1/20 0.42
▸ DCTPP1 Q9H773 2/20 0.42
▸ HPGD P15428 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ AKR1C4 P17516 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41

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
SCHEMBL11909199 1.00 MAPT (0.48) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29848395 0.88 IDO1 (0.49) MAPTALDH1A1THRBDCTPP1HPGD
SCHEMBL11908831 0.87 AKR1C3 (0.48) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11908828 0.87 AKR1C3 (0.48) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11909741 0.85 KAT2B (0.45) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11909744 0.85 KAT2B (0.45) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11909941 0.83 MAPK1 (0.42) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11909159 0.83 PTGER4 (0.47) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11909680 0.83 FAAH (0.44) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11909682 0.83 FAAH (0.44) MAPTALDH1A1MEN1KMT2ASMN1; 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 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 MAPT 4399/4885ALDH1A1 274/4885MEN1 4678/4885

“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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