SCHEMBL6895635

SCHEMBL6895635

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MGLL Q99685 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
P2RX7 Q99572 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NR2F2 P24468 1/20 0.41
MAPK1 P28482 1/20 0.41
GALR3 O60755 1/20 0.41
MMP1 P03956 1/20 0.41

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
SCHEMBL27538402 1.00 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL6896529 0.92 P2RX7 (0.43) ALDH1A1SMN1; SMN2MAPTSIGMAR1P2RX7
SCHEMBL7677851 0.92 P2RX7 (0.43) ALDH1A1SMN1; SMN2MAPTSIGMAR1P2RX7
SCHEMBL27538398 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTSIGMAR1
SCHEMBL6895844 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTSIGMAR1
SCHEMBL27541548 0.91 FPR2 (0.43) ALDH1A1SMN1; SMN2MAPTSIGMAR1P2RX7
SCHEMBL6895842 0.91 FPR2 (0.43) ALDH1A1SMN1; SMN2MAPTSIGMAR1P2RX7
SCHEMBL27559934 0.90 MAPT (0.41) ALDH1A1SMN1; SMN2MAPTSIGMAR1P2RX7
SCHEMBL6891192 0.90 MAPT (0.41) ALDH1A1SMN1; SMN2MAPTSIGMAR1P2RX7
SCHEMBL6895542 0.89 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT

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 2856/4885SMN1; 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.