SCHEMBL6841808

SCHEMBL6841808

O=[N+]([O-])c1cc(Nc2ccccn2)cc([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
RAB9A P51151 7/20 0.68
NPC1 O15118 5/20 0.68
ALDH1A1 P00352 4/20 0.68
LMNA P02545 3/20 0.68
KDM4E B2RXH2 3/20 0.68
MITF O75030 1/20 0.68
MEN1 O00255 8/20 0.61
KMT2A Q03164 8/20 0.61
TLR4 O00206 1/20 0.53
TLR2 O60603 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
CASP3 P42574 2/20 0.50
SENP7 Q9BQF6 1/20 0.50
HTT P42858 2/20 0.49
NOD2 Q9HC29 1/20 0.49
TP53 P04637 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ROCK1 Q13464 1/20 0.48
ABL1 P00519 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
SCHEMBL7982040 0.88 ROCK1 (0.63) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL3889079 0.85 MEN1 (0.62) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL913419 0.77 MEN1 (0.69) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL27827795 0.76 MEN1 (0.71) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL1857449 0.75 MEN1 (0.73) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL4027915 0.75 MEN1 (0.73) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL11714010 0.75 MEN1 (0.69) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL4032494 0.75 MEN1 (0.73) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL8427868 0.75 MEN1 (0.68) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL25371875 0.74 KMT2A (0.60) MAPTRAB9ANPC1ALDH1A1LMNA

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 MAPT 1908/4885RAB9A 4339/4885NPC1 558/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MAPT 1908/4885RAB9A 4339/4885NPC1 558/4885

“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.