SCHEMBL15835217

SCHEMBL15835217

CCCn1c(CCC(=O)Nc2cccc(OC)c2)nnc1C(C)NC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.51
▸ POLB P06746 1/20 0.51
▸ NPC1 O15118 3/20 0.47
▸ NLRP3 Q96P20 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MTNR1B P49286 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PIN1 Q13526 1/20 0.44
▸ KCNK3 O14649 1/20 0.44
▸ KCNK9 Q9NPC2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MTNR1A P48039 1/20 0.43

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 0.74 ALDH1A1 (0.68) POLBNPC1L3MBTL1ALDH1A1HPGD
SCHEMBL15986563 0.70 TSHR (0.53) RAB9ANPC1ALDH1A1HPGDMEN1
SCHEMBL30452440 0.69 RAB9A (1.00) RAB9APOLBNPC1L3MBTL1ALDH1A1
SCHEMBL8278751 0.69 MTNR1B (0.89) RAB9ANPC1L3MBTL1ALDH1A1HPGD
SCHEMBL29800540 0.68 NPC1 (1.00) RAB9APOLBNPC1NLRP3ALDH1A1
SCHEMBL2176828 0.68 NPC1 (1.00) RAB9APOLBNPC1NLRP3ALDH1A1
SCHEMBL13753200 0.67 MTNR1B (0.75) RAB9ANPC1L3MBTL1ALDH1A1HPGD
SCHEMBL15986547 0.67 MAPT (0.74) RAB9APOLBNPC1ALDH1A1MEN1
SCHEMBL29742390 0.66 ROCK1 (0.71) —
SCHEMBL28642442 0.66 ROCK1 (0.71) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20140179679-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES SYK, BTK, TYRO3 RAB9A 4742/4885POLB 3249/4885NPC1 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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