SCHEMBL2820972

SCHEMBL2820972

COc1ccc2nc(NC(=O)NCC(=O)O)sc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.69
NPC1 O15118 8/20 0.69
KMT2A Q03164 6/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
MEN1 O00255 5/20 0.69
MAPT P10636 4/20 0.69
LMNA P02545 1/20 0.69
POLB P06746 1/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
HTT P42858 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C19 P33261 1/20 0.67
DYRK1A Q13627 1/20 0.67
ABL1 P00519 2/20 0.65
CASP2 P42575 1/20 0.65
SCD O00767 3/20 0.64

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
SCHEMBL9988448 0.88 MAPT (0.72) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL2791137 0.88 NPC1 (0.65) RAB9ANPC1KMT2ASMN1; SMN2MEN1
Potassium Ion SCHEMBL2790234 0.88 ABL1 (0.66) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL1282877 0.88 ABL1 (0.83) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL2792432 0.86 ABL1 (0.64) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL2759558 0.86 RAB9A (0.71) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL2732073 0.85 RAB9A (0.66) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL2793209 0.84 DYRK1A (0.65) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL213883 0.82 GSK3B (0.78) RAB9ANPC1KMT2ASMN1; SMN2MEN1
Frentizole SCHEMBL599582 0.82 RAB9A (1.00) RAB9ANPC1KMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10231954-B2 Neurodegenerative therapies LYTIX BIOPHARMA AS (NO) 2019-03-19 US disclosed
US-20170007583-A1 Neurodegenerative Therapies PHARMASUM THERAPEUTICS AS (NO) 2017-01-12 US disclosed
EP-3102202-A1 NEURODEGENERATIVE THERAPIES Lytix Biopharma AS (NO) 2016-12-14 EP disclosed
WO-2015118026-A1 NEURODEGENERATIVE THERAPIES LYTIX BIOPHARMA AS (NO) 2015-08-13 WO disclosed
US-9012481-B2 Benzoarylureido compounds, and composition for prevention or treatment of neurodegenerative brain disease containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-21 US disclosed
US-9012481-B2 Benzoarylureido compounds, and composition for prevention or treatment of neurodegenerative brain disease containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-04-21 US disclosed
US-20110319456-A1 BENZOARYLUREIDO COMPOUNDS, AND COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASE CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-12-29 US disclosed
US-20110319456-A1 BENZOARYLUREIDO COMPOUNDS, AND COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASE CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-12-29 US disclosed
WO-2010077068-A2 BENZOARYLUREIDO COMPOUNDS, AND COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASE CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-07-08 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 (3 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-10231954-B2 Neurodegenerative therapies OXSR1, MAPT, TTBK1 RAB9A 2725/4885NPC1 425/4885KMT2A 3790/4885
US-20110319456-A1 BENZOARYLUREIDO COMPOUNDS, AND COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASE CONTAINING THE SAME HTT, PSEN1, PYGB RAB9A 3642/4885NPC1 42/4885KMT2A 3011/4885
US-20170007583-A1 Neurodegenerative Therapies OXSR1, MAPT, TTBK1 RAB9A 2737/4885NPC1 430/4885KMT2A 3793/4885

“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.