SCHEMBL18457022

SCHEMBL18457022

Cc1cccc(-n2ncc3c2CCCC3)c1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 4/20 0.47
▸ NOD1 Q9Y239 4/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ NOD2 Q9HC29 1/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ DHODH Q02127 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ NR2F2 P24468 1/20 0.43
▸ GALR3 O60755 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL18850703 0.88 HDAC9 (0.46) TNFNOD1NPC1NOD2DHODH
SCHEMBL18850709 0.77 HTT (0.54) TNFNOD1NPC1NOD2RAB9A
SCHEMBL15839075 0.76 SIGMAR1 (0.41) DHODHHDAC9
SCHEMBL18850711 0.75 TNF (0.58) TNFNOD1NPC1NOD2RAB9A
SCHEMBL23934809 0.75 USP7 (0.56) TNFNOD1NPC1NOD2RAB9A
SCHEMBL14688575 0.75 MAPK14 (0.40) NPC1RAB9ADHODHHDAC9
SCHEMBL7961456 0.70 USP7 (0.51) NPC1RAB9APOLBHDAC9
SCHEMBL31011172 0.69 TP53 (0.60) NPC1RAB9A
SCHEMBL16911954 0.68 NPC1 (0.38) TNFNOD1NPC1RAB9ADHODH
SCHEMBL15838966 0.68 CYP11B1 (0.49) —

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-20210300882-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-09-30 — — US disclosed
WO-2017019772-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2017-02-02 — — 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-20210300882-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF MYC, MYCBP, MLYCD TNF 4438/4885NOD1 4010/4885NPC1 187/4885

“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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