SCHEMBL6841093

SCHEMBL6841093

O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.71
▸ KMT2A Q03164 10/20 0.71
▸ MAPT P10636 7/20 0.71
▸ POLB P06746 3/20 0.71
▸ BLM P54132 1/20 0.71
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ LMNA P02545 4/20 0.62
▸ RAB9A P51151 3/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ NFKB2 Q00653 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ SETD7 Q8WTS6 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ HTT P42858 2/20 0.57
▸ TNF P01375 1/20 0.57
▸ POLA1 P09884 1/20 0.57

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
SCHEMBL874268 0.85 KMT2A (0.67) MEN1KMT2AMAPTPOLBBLM
SCHEMBL9329754 0.85 MEN1 (0.85) MEN1KMT2AMAPTPOLBBLM
SCHEMBL1454159 0.84 MEN1 (0.74) MEN1KMT2AMAPTPOLBBLM
SCHEMBL32690121 0.83 MEN1 (1.00) MEN1KMT2AMAPTPOLBBLM
SCHEMBL10943066 0.83 KMT2A (0.94) MEN1KMT2AMAPTPOLBBLM
SCHEMBL18300094 0.83 MEN1 (1.00) MEN1KMT2AMAPTPOLBBLM
SCHEMBL16430901 0.83 MEN1 (0.81) MEN1KMT2AMAPTPOLBBLM
SCHEMBL8710919 0.82 MEN1 (0.80) MEN1KMT2AMAPTPOLBBLM
SCHEMBL7117265 0.82 MEN1 (0.59) MEN1KMT2AMAPTPOLBBLM
SCHEMBL13698359 0.82 MEN1 (0.91) MEN1KMT2AMAPTPOLBBLM

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 7 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 claimed
EP-1360173-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 — — EP claimed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 — — US claimed
WO-2002059080-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2002-08-01 — — WO claimed
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
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 — — 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-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MEN1 4867/4885KMT2A 4618/4885MAPT 1908/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MEN1 4867/4885KMT2A 4618/4885MAPT 1908/4885

“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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