SCHEMBL2231027

SCHEMBL2231027

O=[N+]([O-])c1ccc([N+]2(OCCOCc3ccccc3)CCN(c3cc(OCCOCc4ccccc4)ccn3)C(Cl)C2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM5 P41594 1/20 0.33
FAAH O00519 2/20 0.32
HTT P42858 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
CNR2 P34972 1/20 0.32
BCHE P06276 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
XBP1 P17861 1/20 0.31

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
SCHEMBL1645965 0.76 MEN1 (0.47) MAPTALDH1A1NPBWR1MCHR1L3MBTL1
SCHEMBL4758638 0.67 DRD2 (0.57) CYP19A1CA12CA9MAPTALDH1A1
Pyridine SCHEMBL1647639 0.67 POLB (0.37) CYP19A1CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL6198529 0.63 IDO1 (0.58) MAPTALDH1A1HTTMEN1LMNA
SCHEMBL1645560 0.63 LNPEP (0.46) MAPK1SMN1; SMN2TDP1
SCHEMBL1646405 0.60 ENPP2 (0.49) MAPTALDH1A1HTTMEN1LMNA
SCHEMBL27712803 0.59 TSHR (0.60) CYP19A1MAPTALDH1A1L3MBTL1HTT
SCHEMBL14659339 0.59 GABRA5 (0.49) CYP19A1CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL19621588 0.58 IDO1 (0.61) MAPTALDH1A1HTTMEN1LMNA
SCHEMBL11441117 0.58 IDO1 (0.61) MAPTALDH1A1HTTMEN1LMNA

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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 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-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 CYP19A1 469/4885CA12 2174/4885CA9 992/4885

“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.