SCHEMBL6841844

SCHEMBL6841844

O=C(NNC(=O)c1cc(OCc2ccc3ccccc3c2)cc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
POLB P06746 1/20 0.55
THRB P10828 1/20 0.55
MCL1 Q07820 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
LMNA P02545 2/20 0.51
MAOB P27338 2/20 0.48
HTT P42858 1/20 0.48
MAOA P21397 1/20 0.48
NPC1 O15118 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP19A1 P11511 1/20 0.47
RAB9A P51151 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL6836524 0.90 MAPT (0.58) MAPTMEN1KMT2APOLBTHRB
SCHEMBL6841271 0.85 MAPT (0.53) MAPTMEN1KMT2APOLBTHRB
SCHEMBL6942590 0.84 MAPT (0.46) MAPTMEN1KMT2APOLBLMNA
SCHEMBL9599386 0.80 CNR2 (0.51) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL11265699 0.77 MEN1 (0.70) MAPTMEN1KMT2ALMNAMAOB
SCHEMBL11265305 0.75 MEN1 (0.55) MAPTMEN1KMT2ALMNAMAOB
SCHEMBL7110502 0.75 MAOB (0.65) MAPTMEN1KMT2ALMNAMAOB
SCHEMBL417705 0.74 MAPT (0.60) MAPTMEN1KMT2ALMNAMAOB
SCHEMBL21483677 0.74 MAPT (0.55) MAPTMEN1KMT2ALMNAMAOB
SCHEMBL26358151 0.74 MEN1 (0.73) MAPTMEN1KMT2ANPC1RAB9A

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 1908/4885MEN1 4867/4885KMT2A 4618/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MAPT 1908/4885MEN1 4867/4885KMT2A 4618/4885

“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.