SCHEMBL6898836

SCHEMBL6898836

CN1CCN(C(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)N(CCO)CCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
CYP3A4 P08684 1/20 0.44
UGCG Q16739 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRM1 P11229 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AVPR1A P37288 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
SCHEMBL27562662 1.00 P2RX7 (0.45) P2RX7SIGMAR1CYP3A4UGCGALDH1A1
SCHEMBL27559975 0.91 ALDH1A1 (0.52) P2RX7SIGMAR1ALDH1A1MAPTCYP2C19
SCHEMBL6897933 0.91 ALDH1A1 (0.52) P2RX7SIGMAR1ALDH1A1MAPTCYP2C19
SCHEMBL27541559 0.91 FPR2 (0.45) P2RX7SIGMAR1ALDH1A1MAPTCYP2C19
SCHEMBL6898246 0.91 FPR2 (0.45) P2RX7SIGMAR1ALDH1A1MAPTCYP2C19
SCHEMBL27560030 0.91 HSD17B10 (0.51) CYP3A4UGCGALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6895349 0.91 HSD17B10 (0.51) CYP3A4UGCGALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6897368 0.91 HSD17B10 (0.51) CYP3A4UGCGALDH1A1HSD17B10SMN1; SMN2
SCHEMBL27559964 0.91 ALDH1A1 (0.51) P2RX7SIGMAR1CYP3A4ALDH1A1MAPT
SCHEMBL6895542 0.91 ALDH1A1 (0.51) P2RX7SIGMAR1CYP3A4ALDH1A1MAPT

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 P2RX7 2738/4885SIGMAR1 26/4885CYP3A4 1139/4885

“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.