SCHEMBL431116

SCHEMBL431116

O=C=NC(COCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.49
CA1 P00915 4/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
FOLH1 Q04609 1/20 0.44
TSHR P16473 1/20 0.42
MME P08473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TACR1 P25103 2/20 0.41
MAPK1 P28482 1/20 0.40
PPARA Q07869 1/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL27839523 0.88 SLC1A1 (0.47) SLC1A1CA1CA2CA7CA9
SCHEMBL10201895 0.87 MIF (0.46) SLC1A1CA1CA2CA7CA9
SCHEMBL10581091 0.82 SMN1; SMN2 (0.41) SLC1A1FOLH1TSHRALDH1A1SMN1; SMN2
SCHEMBL4421756 0.78 CYP1A2 (0.52) SLC1A1FOLH1PPARASLC1A3SLC1A2
SCHEMBL2808578 0.78 CYP1A2 (0.52) SLC1A1FOLH1PPARASLC1A3SLC1A2
SCHEMBL3496986 0.78 CYP1A2 (0.52) SLC1A1FOLH1PPARASLC1A3SLC1A2
SCHEMBL16058000 0.77 SLC1A1 (0.48) SLC1A1CA1CA2CA7CA9
SCHEMBL27832950 0.77 CYP1A2 (0.50) SLC1A1FOLH1PPARASLC1A3SLC1A2
Water SCHEMBL27350729 0.77 CYP1A2 (0.50) SLC1A1FOLH1PPARASLC1A3SLC1A2
SCHEMBL30885167 0.76 PPARG (0.58) PPARA

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
CN-102365294-B The dipeptide analogue of neurotrophic factor NGF and BDNF UCHREZHDENIE ROSSIISKOI AKADEMII MEDITSYNSKIKH NAUKNAUCHNO-ISSLEDOVATELSKY INSTITUT FARMAKOLOGII IMENI V.V.ZAKUSOVA RAMN (RU) 2016-02-17 CN disclosed
US-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2013-09-05 US disclosed
EP-2596102-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GeneArrest Ltd (IL) 2013-05-29 EP disclosed
CN-102365294-A Dipeptide mimetics of ngf and bdnf neurotrophins UCHREZHDENIE ROSSIISKOI AKADEMII MEDITSYNSKIKH NAUK 2012-02-29 CN disclosed
WO-2012011114-A2 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF GENEARREST LTD (IL) 2012-01-26 WO 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-20130231480-A1 SEQUENCE SPECIFIC DOUBLE-STRANDED DNA/RNA BINDING COMPOUNDS AND USES THEREOF POLM, POLRMT, DDB1 SLC1A1 3816/4885CA1 4239/4885CA2 3832/4885

“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.