SCHEMBL2817528

SCHEMBL2817528

Cn1c(NC(=O)NCCCC(=O)O)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
HDAC6 Q9UBN7 3/20 0.53
PDE11A Q9HCR9 1/20 0.51
PDE10A Q9Y233 1/20 0.51
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HSD17B10 Q99714 3/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 5/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL12058609 0.92 RAB9A (0.63) RAB9ANPC1HDAC6PDE11APDE10A
SCHEMBL2818559 0.85 ALDH1A1 (0.56) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL2822277 0.84 RAB9A (0.66) RAB9ANPC1HDAC6PDE11APDE10A
Potassium Ion SCHEMBL2812522 0.82 RAB9A (0.56) RAB9ANPC1HDAC6PDE11APDE10A
SCHEMBL2882571 0.80 NPC1 (0.53) RAB9ANPC1PDE11APDE10AKDM4E
Potassium Ion SCHEMBL2817204 0.77 RAB9A (0.59) RAB9ANPC1PDE11APDE10AKDM4E
SCHEMBL3771751 0.76 RAB9A (0.74) RAB9ANPC1HDAC6PDE11APDE10A
SCHEMBL29510945 0.76 RAB9A (1.00) RAB9ANPC1PDE11APDE10AKDM4E
SCHEMBL14773948 0.76 RAB9A (1.00) RAB9ANPC1PDE11APDE10AKDM4E
SCHEMBL2815773 0.74 RAB9A (0.65) RAB9ANPC1HDAC6PDE11APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110319456-A1 BENZOARYLUREIDO COMPOUNDS, AND COMPOSITION FOR PREVENTION OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASE CONTAINING THE SAME HTT, PSEN1, PYGB RAB9A 3642/4885NPC1 42/4885HDAC6 428/4885

“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.