SCHEMBL18824177

SCHEMBL18824177

COc1cc2sc(NC(=O)Nc3ccccc3)nc2cc1Br

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.69
▸ RAB9A P51151 9/20 0.67
▸ NPC1 O15118 8/20 0.67
▸ MEN1 O00255 7/20 0.67
▸ KMT2A Q03164 7/20 0.67
▸ MAPT P10636 5/20 0.67
▸ NFKB1 P19838 3/20 0.67
▸ NFKB2 Q00653 3/20 0.67
▸ RELA Q04206 3/20 0.67
▸ POLB P06746 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ LMNA P02545 1/20 0.67
▸ HDAC6 Q9UBN7 1/20 0.67
▸ DYRK1A Q13627 2/20 0.59
▸ DYRK1B Q9Y463 1/20 0.59
▸ GAA P10253 1/20 0.58
▸ USP2 O75604 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ ABL1 P00519 3/20 0.54
▸ HSD17B10 Q99714 1/20 0.54

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
SCHEMBL1282482 0.81 ABL1 (0.68) SCDRAB9ANPC1SMN1; SMN2ABL1
SCHEMBL16562088 0.81 SCD (1.00) SCDRAB9ANPC1MEN1KMT2A
SCHEMBL10812423 0.80 NPC1 (0.82) SCDRAB9ANPC1MEN1KMT2A
Frentizole SCHEMBL599582 0.80 RAB9A (1.00) SCDRAB9ANPC1MEN1KMT2A
Frentizole SCHEMBL11433152 0.79 RAB9A (0.98) SCDRAB9ANPC1MEN1KMT2A
SCHEMBL18824262 0.78 MAPT (0.71) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL18824277 0.78 DYRK1A (0.74) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4124786 0.76 DYRK1A (0.74) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL1143751 0.75 NPC1 (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL11724806 0.74 DYRK1A (1.00) RAB9ANPC1MEN1KMT2AMAPT

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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2018-11-01 — — US disclosed
WO-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 — — WO disclosed
WO-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 — — 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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor UGT1A8, CYP2C8, CXCL8 SCD 2898/4885RAB9A 663/4885NPC1 52/4885

“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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