SCHEMBL6897723

SCHEMBL6897723

CC(C)CCN(CCO)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
BACE1 P56817 2/20 0.40
AVPR1A P37288 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
PTPN1 P18031 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 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
SCHEMBL6895457 0.89 ITGA4 (0.41) HTTPOLBITGA4ITGB7BACE1
SCHEMBL6897261 0.88 MMP1 (0.46) ITGA4ITGB7BACE1LMNAKMT2A
SCHEMBL6898016 0.87 ALDH1A1 (0.47) HTTPOLBITGA4ITGB7ALDH1A1
SCHEMBL6889408 0.86 CYP3A4 (0.44) AVPR1AMMP1MMEACE
SCHEMBL27538373 0.86 CYP3A4 (0.44) AVPR1AMMP1MMEACE
SCHEMBL6897072 0.85 MME (0.49) ITGA4ITGB7LMNAKMT2AMEN1
SCHEMBL27570936 0.85 MME (0.49) ITGA4ITGB7LMNAKMT2AMEN1
SCHEMBL6897967 0.83 ALDH1A1 (0.51) ITGA4ITGB7AVPR1AALDH1A1KMT2A
SCHEMBL6894874 0.81 ALDH1A1 (0.49) ITGA4ITGB7AVPR1AALDH1A1KMT2A
SCHEMBL6895846 0.80 ALDH1A1 (0.48) ITGA4ITGB7BACE1ALDH1A1KMT2A

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 HTT 2515/4885POLB 2155/4885ITGA4 4185/4885

“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.