SCHEMBL6895542

SCHEMBL6895542

O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2ccccc2)CC1)N(CCO)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MGLL Q99685 2/20 0.47
SIGMAR1 Q99720 4/20 0.46
P2RX7 Q99572 1/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FAAH O00519 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL27559964 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6898836 0.91 P2RX7 (0.45) ALDH1A1MAPTSMN1; SMN2SIGMAR1P2RX7
SCHEMBL27562662 0.91 P2RX7 (0.45) ALDH1A1MAPTSMN1; SMN2SIGMAR1P2RX7
SCHEMBL27559975 0.91 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2LMNASIGMAR1
SCHEMBL6897933 0.91 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2LMNASIGMAR1
SCHEMBL27541559 0.91 FPR2 (0.45) ALDH1A1MAPTSMN1; SMN2SIGMAR1P2RX7
SCHEMBL6898246 0.91 FPR2 (0.45) ALDH1A1MAPTSMN1; SMN2SIGMAR1P2RX7
SCHEMBL28745398 0.89 P2RX7 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2SIGMAR1
SCHEMBL6897992 0.89 P2RX7 (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2SIGMAR1
SCHEMBL6895635 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA

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-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH ALDH1A1 1309/4885KDM4E 2856/4885MAPT 2496/4885

“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.