SCHEMBL6890083

SCHEMBL6890083

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
P2RX7 Q99572 1/20 0.42
CHRM1 P11229 3/20 0.42
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CALCRL Q16602 2/20 0.41
MAPT P10636 2/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MC4R P32245 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL27538241 1.00 GAA (0.45) GAATSHRP2RX7CHRM1ALDH1A1
SCHEMBL27541559 0.90 FPR2 (0.45) P2RX7ALDH1A1KMT2AMEN1MAPT
SCHEMBL6898246 0.90 FPR2 (0.45) P2RX7ALDH1A1KMT2AMEN1MAPT
SCHEMBL27538361 0.90 GAA (0.42) GAATSHRP2RX7CHRM1ALDH1A1
SCHEMBL6891231 0.90 GAA (0.42) GAATSHRP2RX7CHRM1ALDH1A1
SCHEMBL27559975 0.87 ALDH1A1 (0.52) P2RX7ALDH1A1KMT2AMEN1MAPT
SCHEMBL27562662 0.87 P2RX7 (0.45) P2RX7CHRM1ALDH1A1KMT2AMEN1
SCHEMBL6898836 0.87 P2RX7 (0.45) P2RX7CHRM1ALDH1A1KMT2AMEN1
SCHEMBL6897933 0.87 ALDH1A1 (0.52) P2RX7ALDH1A1KMT2AMEN1MAPT
SCHEMBL6895542 0.86 ALDH1A1 (0.51) P2RX7ALDH1A1MAPTCYP2C19HTT

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 580/4885P2RX7 2738/4885

“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.