SCHEMBL1896673

SCHEMBL1896673

C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cccc(C(=O)OC(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ MAPT P10636 4/20 0.61
▸ ALDH1A1 P00352 5/20 0.56
▸ TSHR P16473 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ GAA P10253 1/20 0.55
▸ USP2 O75604 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ GLA P06280 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ SLC27A1 Q6PCB7 1/20 0.51
▸ RECQL P46063 1/20 0.50
▸ HPGD P15428 1/20 0.50

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
SCHEMBL15835212 0.88 ALDH1A1 (0.52) SMN1; SMN2MAPTALDH1A1TSHRKDM4E
SCHEMBL16500319 0.80 PTGES (0.54) SMN1; SMN2MAPTALDH1A1GLAHTT
SCHEMBL18559353 0.78 SMN1; SMN2 (1.00) SMN1; SMN2MAPTALDH1A1TSHRKDM4E
SCHEMBL17131975 0.75 HTT (0.53) SMN1; SMN2MAPTTSHRKDM4EHTT
SCHEMBL17131918 0.73 KDM4E (0.50) SMN1; SMN2MAPTTSHRKDM4EHTT
SCHEMBL14970814 0.72 SMN1; SMN2 (0.71) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL14970841 0.71 THRB (0.68) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL18559233 0.69 MAPT (1.00) MAPTALDH1A1TSHRHSD17B10GAA
SCHEMBL18559263 0.69 MAPT (1.00) SMN1; SMN2MAPTALDH1A1TSHRMEN1
SCHEMBL30774051 0.69 ALDH1A1 (0.68) SMN1; SMN2MAPTALDH1A1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112098-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-05-12 — — US disclosed
US-20110112098-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-05-12 — — US disclosed
US-20110112098-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-05-12 — — 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-20110112098-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES SYK, BTK, TYRO3 SMN1; SMN2 4810/4885MAPT 4486/4885ALDH1A1 3595/4885

“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.

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