SCHEMBL20320950

SCHEMBL20320950

C#CCCC1(CCOc2ccc(C=O)cc2)N=N1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2A6 P11509 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
RAB9A P51151 1/20 0.34
PTGS2 P35354 1/20 0.34
HMGCR P04035 1/20 0.33

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
SCHEMBL20321105 0.84 MAOA (0.44) SMN1; SMN2L3MBTL1MEN1KMT2AMAOA
SCHEMBL23804002 0.81 KDM4E (0.39) ALDH1A1LMNAKDM4EL3MBTL1MAOB
SCHEMBL22374404 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL11912907 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL23804091 0.79 MAOA (0.38) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3346351 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL28530836 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL1232335 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL8926474 0.76 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL23804054 0.76 KIF11 (0.39) SMN1; SMN2MAPTMAOAMAOB

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
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 EP disclosed
EP-4306166-A2 COMPOUNDS, COMPOSITIONS AND METHODS OF USE Aquinnah Pharmaceuticals Inc. (US) 2024-01-17 EP disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
EP-3557998-B1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-08-16 EP disclosed
EP-3557998-B1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-08-16 EP disclosed
US-11542233-B2 Compounds, compositions and methods of use AQUINNAH PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
WO-2018119395-A1 COMPOUNS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS, INC. (US) 2018-06-28 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-11542233-B2 Compounds, compositions and methods of use FUS, TFEB, CLN6 ALDH1A1 3706/4885SMN1; SMN2 35/4885LMNA 195/4885
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 ALDH1A1 3706/4885SMN1; SMN2 35/4885LMNA 195/4885

“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.