SCHEMBL6841709

SCHEMBL6841709

COc1ccc([N+](=O)[O-])cc1OCc1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.66
CNR2 P34972 4/20 0.57
CNR1 P21554 2/20 0.53
ACHE P22303 1/20 0.53
PARP15 Q460N3 1/20 0.51
PARP10 Q53GL7 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BCHE P06276 1/20 0.48
HTT P42858 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL5704535 0.88 MAPT (0.53) CYP19A1CNR2CNR1ACHEMAPT
SCHEMBL3295875 0.85 CYP19A1 (0.65) CYP19A1CNR2CNR1ACHEPARP10
SCHEMBL8808325 0.81 MAPT (0.57) CYP19A1L3MBTL1MAPTCYP1A2CYP3A4
SCHEMBL3297370 0.80 CYP19A1 (1.00) CYP19A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL30721937 0.79 MAPT (0.67) CYP19A1L3MBTL1MAPTCYP1A2CYP3A4
SCHEMBL2063456 0.79 MAPT (0.67) CYP19A1L3MBTL1MAPTCYP1A2CYP3A4
SCHEMBL3295890 0.79 CYP19A1 (1.00) CYP19A1
SCHEMBL7993223 0.78 NPC1 (0.59) CYP19A1CNR2CNR1ACHEPARP15
SCHEMBL7228750 0.78 MAPT (0.61) CYP19A1CNR2CNR1ACHEPARP10
SCHEMBL8813098 0.78 MAPT (0.62) CYP19A1L3MBTL1MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use WU YONG-QIAN (US) 2004-08-12 US disclosed
US-6656971-B2 Non-peptidic small organic compounds having an affinity for cyclophilin (CyP)-type immunophilins; inhibiting their peptidyl-prolyl isomerase activity; treating variety of medical conditions GUILFORD PHARMACEUTICALS INC. 2003-12-02 US disclosed
EP-1360173-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 EP disclosed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 US disclosed
WO-2002059080-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2002-08-01 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 (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-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 CYP19A1 418/4885CNR2 680/4885CNR1 740/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 CYP19A1 418/4885CNR2 680/4885CNR1 740/4885

“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.