SCHEMBL6891231

SCHEMBL6891231

CC(=O)SCCN(CCc1ccccc1)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
P2RX7 Q99572 1/20 0.40
CHRM1 P11229 2/20 0.39
MC4R P32245 1/20 0.38
CALCRL Q16602 4/20 0.38
CYP3A4 P08684 1/20 0.37
MAPT P10636 2/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL27538361 1.00 GAA (0.42) GAATSHRALDH1A1KMT2AMEN1
SCHEMBL6895842 0.91 FPR2 (0.43) ALDH1A1KMT2AMEN1P2RX7MAPT
SCHEMBL27541548 0.91 FPR2 (0.43) ALDH1A1KMT2AMEN1P2RX7MAPT
SCHEMBL6890083 0.90 GAA (0.45) GAATSHRALDH1A1KMT2AMEN1
SCHEMBL27538241 0.90 GAA (0.45) GAATSHRALDH1A1KMT2AMEN1
SCHEMBL7677851 0.89 P2RX7 (0.43) ALDH1A1P2RX7CHRM1CYP3A4MAPT
SCHEMBL6896529 0.89 P2RX7 (0.43) ALDH1A1P2RX7CHRM1CYP3A4MAPT
SCHEMBL6895844 0.88 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1P2RX7MAPT
SCHEMBL27538398 0.88 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1P2RX7MAPT
SCHEMBL6895635 0.88 ALDH1A1 (0.47) ALDH1A1P2RX7CYP3A4MAPTCYP2C19

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 GAA 2480/4885TSHR 580/4885ALDH1A1 1309/4885

“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.