SCHEMBL1928409

SCHEMBL1928409

O=C(O)N(Cc1ccccc1)Cc1nc(-c2ccc3c(c2)Nc2ccccc2S3)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
NOX1 Q9Y5S8 4/20 0.40
GAA P10253 3/20 0.40
ALOX15 P16050 2/20 0.40
CYBB P04839 1/20 0.40
APP P05067 1/20 0.40
SNCA P37840 1/20 0.40
NOX3 Q9HBY0 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MARK4 Q96L34 5/20 0.39
NPSR1 Q6W5P4 2/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL1926716 0.88 NOX1 (0.43) MMP1MMP2MMP9MMP13MEN1
SCHEMBL1927677 0.88 TP53 (0.44) MMP1MMP13MEN1KMT2AMAPT
SCHEMBL1926577 0.83 CNR2 (0.44) MEN1KMT2AMAPTNOX1GAA
SCHEMBL1928277 0.81 NOX1 (0.46) MEN1KMT2AMAPTNOX1GAA
SCHEMBL4033770 0.81 MAPT (0.43) MEN1KMT2AMAPTNOX1GAA
SCHEMBL1926384 0.79 NOX1 (0.46) MEN1KMT2AMAPTNOX1GAA
SCHEMBL1928191 0.79 NOX1 (0.46) MEN1KMT2AMAPTNOX1GAA
SCHEMBL1927266 0.78 NOX1 (0.46) MEN1KMT2AMAPTNOX1GAA
Hydrochloric Acid SCHEMBL1926356 0.78 TAAR1 (0.46) MEN1KMT2AMAPTNOX1GAA
SCHEMBL4033771 0.78 GRM1 (0.46) MMP13MEN1KMT2AMAPTNOX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS IPSEN PHARMA S.A.S. (FR) 2011-07-14 US disclosed
US-7956075-B2 Thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives, e.g., butyl 2-(4-[1,1'-biphenyl]-4-yl-1H-imidazol-2-yl)ethylcarbamate inhibit lipidic peroxidation and monoamine oxidase and modulate sodium channels and are used for treating neurodegenerative disorders or pain. IPSEN PHARMA S.A.S. (FR) 2011-06-07 US 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-20110172434-A1 DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS OXER1, OPRL1, CHRNA7 MMP1 3648/4885MMP2 3783/4885MMP9 3831/4885

“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.