SCHEMBL18456883

SCHEMBL18456883

O=C(Nc1nc2ccccc2s1)c1ccc(OCC(=O)N2CCOCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.67
▸ NPC1 O15118 8/20 0.61
▸ RAB9A P51151 7/20 0.61
▸ SMN1; SMN2 Q16637 6/20 0.61
▸ MEN1 O00255 6/20 0.60
▸ KMT2A Q03164 6/20 0.60
▸ ALDH1A1 P00352 5/20 0.60
▸ KDM4E B2RXH2 5/20 0.60
▸ TP53 P04637 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ HTT P42858 2/20 0.60
▸ LMNA P02545 2/20 0.60
▸ SCD O00767 4/20 0.58
▸ HSD17B10 Q99714 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ NFKB1 P19838 1/20 0.53

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
SCHEMBL18456885 0.88 SCD (0.63) LRRK2NPC1SMN1; SMN2MEN1KMT2A
SCHEMBL18425966 0.87 SCD (0.78) LRRK2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21753695 0.80 LRRK2 (1.00) LRRK2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL18424931 0.78 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18423752 0.78 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL18425570 0.78 ALDH1A1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL18425537 0.77 MAPT (0.67) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6691075 0.76 MAPT (0.82) LRRK2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL18425082 0.76 MAPK1 (0.71) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18424370 0.76 ALDH1A1 (0.75) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-11028061-B2 Modulators of myocyte lipid accumulation and insulin resistance and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2021-06-08 — — US disclosed
US-11028061-B2 Modulators of myocyte lipid accumulation and insulin resistance and methods of use thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2021-06-08 — — US disclosed
US-20180222874-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Bumham Prebys Medical Discovery Imstitute (US) 2018-08-09 — — US disclosed
US-20180222874-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Bumham Prebys Medical Discovery Imstitute (US) 2018-08-09 — — US disclosed
US-20180222874-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF Sanford Bumham Prebys Medical Discovery Imstitute (US) 2018-08-09 — — 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 (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-20180222874-A1 MODULATORS OF MYOCYTE LIPID ACCUMULATION AND INSULIN RESISTANCE AND METHODS OF USE THEREOF MYC, MYCBP, MLYCD LRRK2 3250/4885NPC1 187/4885RAB9A 3766/4885
US-11028061-B2 Modulators of myocyte lipid accumulation and insulin resistance and methods of use thereof MYC, MYCBP, MLYCD LRRK2 3250/4885NPC1 187/4885RAB9A 3766/4885

“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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