SCHEMBL1898074

SCHEMBL1898074

C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1C(C)NC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.68
▸ NPC1 O15118 1/20 0.58
▸ SLC27A1 Q6PCB7 1/20 0.56
▸ TSHR P16473 3/20 0.56
▸ POLB P06746 1/20 0.54
▸ KMT2A Q03164 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ LMNA P02545 1/20 0.51

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
SCHEMBL30774051 1.00 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2NPC1SLC27A1TSHR
SCHEMBL18559288 0.75 ALDH1A1 (0.67) ALDH1A1TSHRPOLBKMT2AMAPT
SCHEMBL15835217 0.74 RAB9A (0.51) ALDH1A1SMN1; SMN2NPC1POLBKMT2A
SCHEMBL18559353 0.70 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2TSHRPOLBKMT2A
SCHEMBL18559194 0.70 TSHR (0.81) ALDH1A1SMN1; SMN2NPC1TSHRPOLB
SCHEMBL13831536 0.69 MAPT (0.79) ALDH1A1SMN1; SMN2NPC1SLC27A1POLB
SCHEMBL4196991 0.69 TSHR (0.62) ALDH1A1TSHRPOLBKMT2AMAPT
SCHEMBL1896673 0.69 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2SLC27A1TSHRKMT2A
SCHEMBL15986422 0.69 MAPT (1.00) ALDH1A1SMN1; SMN2TSHRPOLBKMT2A
SCHEMBL29354709 0.68 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NPC1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504676-B2 Molecules inhibiting a metabolic pathway involving the Syk protein tyrosine kinase and method for identifying said molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-11-29 — — US disclosed
US-9504676-B2 Molecules inhibiting a metabolic pathway involving the Syk protein tyrosine kinase and method for identifying said molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-11-29 — — US disclosed
US-20140179679-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) 2014-06-26 — — US disclosed
US-20140179679-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) 2014-06-26 — — 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 (2 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-20140179679-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES SYK, BTK, TYRO3 ALDH1A1 3595/4885SMN1; SMN2 4810/4885NPC1 4088/4885
US-20110112098-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES SYK, BTK, TYRO3 ALDH1A1 3595/4885SMN1; SMN2 4810/4885NPC1 4088/4885

“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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