SCHEMBL4123679

SCHEMBL4123679

O=[N+]([O-])c1ccc(-c2cc3c(c(-c4c(O)c(-c5ccc([N+](=O)[O-])cc5)cc5c4CCCC5)c2O)CCCC3)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 5/20 0.40
ALDH1A1 P00352 2/20 0.40
RECQL P46063 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GYS1 P13807 1/20 0.39
MAOA P21397 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 2/20 0.38
ACHE P22303 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NLRP3 Q96P20 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3929063 0.80 GPR84 (0.39) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL16772616 0.77 MEN1 (0.64) KMT2AMEN1MAOASMN1; SMN2PDE4B
SCHEMBL4127678 0.74 MEN1 (0.56) KMT2AMEN1MAOA
SCHEMBL25195073 0.72 KMT2A (0.54) KMT2AMEN1MAPTGAA
SCHEMBL14450977 0.70 MEN1 (1.00) KMT2AMEN1ALDH1A1MAOAKDM4E
SCHEMBL4541837 0.69 GPR35 (0.47) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL3929935 0.69 MEN1 (0.37) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL3919336 0.68 MEN1 (0.51) KMT2AMEN1MAOASMN1; SMN2PDE4B
SCHEMBL28476433 0.67 GPR35 (0.52) KMT2AMEN1MAPTALDH1A1RECQL
SCHEMBL22229685 0.67 MEN1 (0.80) KMT2AMEN1MAPTALDH1A1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517828-B2 Chiral broensted acid catalyst for asymmetric synthesis and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2009-04-14 US disclosed
US-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2006-12-07 US disclosed
EP-1623971-A1 ASYMMETRIC-SYNTHESIS CATALYST BASED ON CHIRAL BROENSTED ACID AND METHOD OF ASYMMETRIC SYNTHESIS WITH THE CATALYST TOAGOSEI CO., LTD. (JP) 2006-02-08 EP 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-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst LSS, COASY, FASN KMT2A 2039/4885MEN1 169/4885MAPT 3346/4885

“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.