SCHEMBL4265834

SCHEMBL4265834

COC(=O)c1cc([N+](=O)[O-])cc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ OPRK1 P41145 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.40
▸ PDGFRB P09619 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8298958 0.83 KMT2A (0.41) MEN1KMT2ASLC6A4LMNASLC6A3
SCHEMBL5750687 0.82 KMT2A (0.49) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL7677787 0.81 SMN1; SMN2 (0.45) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL19255040 0.81 KMT2A (0.48) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL9471450 0.80 SLC6A4 (0.41) MEN1KMT2ASLC6A4LMNASLC6A3
SCHEMBL3440743 0.80 GRIA1 (0.50) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL11729721 0.79 KMT2A (0.46) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL6986834 0.78 NLRP3 (0.44) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL30995649 0.77 CA12 (0.46) KMT2ALMNAALDH1A1NLRP3HTT
SCHEMBL7677467 0.77 CA12 (0.46) KMT2ALMNAALDH1A1NLRP3HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636221-B1 3-Heterocyclyl-Azetidine compounds useful as NK1/NK2 receptors antagonists ALBIREO AB (SE) 2009-08-12 — — EP disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 — — US disclosed
US-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 — — US disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 — — 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 (2 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-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 MEN1 1247/4885KMT2A 2681/4885SLC6A4 154/4885
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 MEN1 4556/4885KMT2A 2350/4885SLC6A4 2150/4885

“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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