SCHEMBL6897933

SCHEMBL6897933

O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1)N(CCO)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 4/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TGM2 P21980 1/20 0.46
POLB P06746 3/20 0.46
P2RX7 Q99572 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
GFER P55789 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL27559975 1.00 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL28745398 0.91 P2RX7 (0.43) ALDH1A1MAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL6898836 0.91 P2RX7 (0.45) ALDH1A1MAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL27562662 0.91 P2RX7 (0.45) ALDH1A1MAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL6897992 0.91 P2RX7 (0.43) ALDH1A1MAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL6898246 0.91 FPR2 (0.45) ALDH1A1MAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL27541559 0.91 FPR2 (0.45) ALDH1A1MAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL6895542 0.91 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL27559964 0.91 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2L3MBTL1HTT
SCHEMBL6895844 0.89 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2L3MBTL1HTT

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 1309/4885MAPT 2496/4885SMN1; SMN2 4533/4885

“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.