SCHEMBL6895757

SCHEMBL6895757

O=C(NCCN1C(=O)c2ccccc2C1=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)N(CCO)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
AKT1 P31749 1/20 0.40
CTSL P07711 3/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
PTPN1 P18031 1/20 0.37
CTSD P07339 3/20 0.37
REN P00797 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL27541762 1.00 ALDH1A1 (0.41) ALDH1A1AKT1CTSLMEN1KMT2A
SCHEMBL6891200 0.89 CTSL (0.40) ALDH1A1AKT1CTSLMEN1KMT2A
SCHEMBL27541537 0.89 CTSL (0.40) ALDH1A1AKT1CTSLMEN1KMT2A
SCHEMBL27538243 0.85 TACR2 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL6891302 0.85 TACR2 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL6898016 0.85 ALDH1A1 (0.47) ALDH1A1CTSLMEN1KMT2AITGA4
SCHEMBL6889326 0.85 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6897567 0.84 TACR2 (0.53)
SCHEMBL6897967 0.84 ALDH1A1 (0.51) ALDH1A1CTSLMEN1KMT2AITGA4
SCHEMBL6895846 0.83 ALDH1A1 (0.48) ALDH1A1CTSLMEN1KMT2AITGA4

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 ALDH1A1 1309/4885AKT1 3570/4885CTSL 869/4885

“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.