SCHEMBL2400811

SCHEMBL2400811

CNC(=O)n1nccc1C=Cc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.45
▸ NPC1 O15118 6/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.42
▸ GAPDH P04406 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PSMD14 O00487 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GRM4 Q14833 1/20 0.39

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
SCHEMBL2400810 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1224827 0.83 RAB9A (0.48) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1224825 0.83 RAB9A (0.48) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1225516 0.81 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1225513 0.81 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1225646 0.81 LMNA (0.45) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1225648 0.81 LMNA (0.45) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL2399767 0.75 F2 (0.48) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL2399771 0.75 F2 (0.48) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL1224871 0.73 PTGS1 (0.40) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1

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-20110230407-A1 HEPATOCYTE GROWTH FACTOR PATHWAY ACTIVATORS IN DEMYELINATING DISEASES AND CENTRAL NERVOUS SYSTEM TRAUMA NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-22 — — US claimed
US-20110230407-A1 HEPATOCYTE GROWTH FACTOR PATHWAY ACTIVATORS IN DEMYELINATING DISEASES AND CENTRAL NERVOUS SYSTEM TRAUMA NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-09-22 — — US 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-20110230407-A1 HEPATOCYTE GROWTH FACTOR PATHWAY ACTIVATORS IN DEMYELINATING DISEASES AND CENTRAL NERVOUS SYSTEM TRAUMA HGF, HGFAC, HDGF SMN1; SMN2 112/4885NPC1 2177/4885RAB9A 3894/4885

“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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