SCHEMBL13267472

SCHEMBL13267472

O=C(NC1CCN(O)C(=O)C1)c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.65
▸ KMT2A Q03164 3/20 0.64
▸ NPC1 O15118 3/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ ALDH1A1 P00352 2/20 0.54
▸ DRD2 P14416 3/20 0.52
▸ DRD4 P21917 3/20 0.52
▸ HIF1A Q16665 3/20 0.50
▸ EPAS1 Q99814 3/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ HDAC1 Q13547 1/20 0.48

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
SCHEMBL13244710 0.92 KDM4E (0.63) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13984525 0.83 KDM4E (0.61) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13267470 0.79 KDM4E (0.62) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13244708 0.76 KDM4E (0.58) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13244742 0.73 KDM4E (0.59) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13266880 0.73 HRH3 (0.61) SMN1; SMN2TSHRHRH3
SCHEMBL7218186 0.73 DRD4 (0.86) KMT2ASMN1; SMN2DRD2DRD4CYP1A2
SCHEMBL24728688 0.71 HIF1A (0.68) KDM4EKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL254490 0.71 HRH3 (0.72) KDM4EKMT2ANPC1RAB9AALDH1A1
SCHEMBL3455772 0.70 ALDH1A1 (1.00) KDM4EKMT2ANPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 — — WO 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 KDM4E 4299/4885KMT2A 4779/4885NPC1 299/4885

“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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