SCHEMBL6890161

SCHEMBL6890161

O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCNCC1)N(CCS)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 4/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.41
FPR2 P25090 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
PYGL P06737 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
SCHEMBL27560017 1.00 CYP51A1 (0.44) CYP51A1KMT2AALDH1A1FPR2SMN1; SMN2
Fumaric Acid SCHEMBL27560048 0.95 CYP51A1 (0.41) CYP51A1KMT2AALDH1A1FPR2SMN1; SMN2
Fumaric Acid SCHEMBL6895907 0.95 CYP51A1 (0.41) CYP51A1KMT2AALDH1A1FPR2SMN1; SMN2
Fumaric Acid SCHEMBL6895910 0.95 CYP51A1 (0.41) CYP51A1KMT2AALDH1A1FPR2SMN1; SMN2
SCHEMBL6897188 0.88 HSD17B10 (0.50) KMT2AALDH1A1SMN1; SMN2MEN1HSD17B10
Fumaric Acid SCHEMBL6897338 0.84 CTSL (0.46) KMT2AALDH1A1SMN1; SMN2MEN1HSD17B10
Fumaric Acid SCHEMBL6897339 0.84 CTSL (0.46) KMT2AALDH1A1SMN1; SMN2MEN1HSD17B10
Fumaric Acid SCHEMBL27541785 0.84 CTSL (0.46) KMT2AALDH1A1SMN1; SMN2MEN1HSD17B10
SCHEMBL6897330 0.81 HSD17B10 (0.46) KMT2AALDH1A1SMN1; SMN2MEN1KDM4E
SCHEMBL6899205 0.81 LPAR1 (0.52) ACE2

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 CYP51A1 2619/4885KMT2A 4759/4885ALDH1A1 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.