SCHEMBL6897318

SCHEMBL6897318

C[C@H](NC(=O)N(CCO)CCc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
KCNH2 Q12809 4/20 0.46
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LPAR1 Q92633 1/20 0.40
SLC22A2 O15244 1/20 0.40
ADRB1 P08588 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC47A2 Q86VL8 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL6896948 0.86 KCNH2 (0.45) KCNH2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27538213 0.86 KCNH2 (0.45) KCNH2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6897343 0.84 LPAR1 (0.46) TSHRMEN1KMT2ALPAR1ACE
SCHEMBL6890154 0.84 LPAR1 (0.53) TSHRMEN1KMT2AKDM4ENPC1
SCHEMBL6896205 0.84 LPAR1 (0.53) TSHRMEN1KMT2AKDM4ENPC1
SCHEMBL6890174 0.83 HSD17B10 (0.44) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL6898167 0.83 LPAR1 (0.43) TSHRMEN1KMT2ALPAR1
SCHEMBL6895640 0.82 CA2 (0.47) TSHRALDH1A1MEN1KMT2ANPC1
SCHEMBL27576411 0.82 CA2 (0.47) TSHRALDH1A1MEN1KMT2ANPC1
SCHEMBL6891314 0.82 LPAR1 (0.47) TSHRMEN1KMT2ALPAR1ACE

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 4 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
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 TSHR 580/4885KCNH2 1252/4885ALDH1A1 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.