SCHEMBL3662428

SCHEMBL3662428

CC(C)CC(C)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GOPC Q9HD26 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
CYP19A1 P11511 2/20 0.43
GAA P10253 1/20 0.42
KCNA5 P22460 2/20 0.40
KCNH2 Q12809 1/20 0.40
KCNN4 O15554 1/20 0.40

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
SCHEMBL23689573 1.00 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL22060305 1.00 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL1245510 0.82 NPC1 (0.53) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL22113733 0.82 NPC1 (0.53) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL14233502 0.82 NPC1 (0.53) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL4204504 0.81 SMN1; SMN2 (0.52) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL6855082 0.81 KDM4E (0.49) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL14151717 0.81 KDM4E (0.49) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL13611241 0.80 SLC6A2 (0.42) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL21715696 0.80 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101778850-A Heteroaryl amide analogs LUNDBECK & CO AS H 2010-07-14 CN claimed
US-11001592-B2 DNA polymerase IIIC inhibitors and use thereof ACURX PHARMACEUTICALS, LLC (US) 2021-05-11 US disclosed
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same NYSNOBIO IRELAND DAC (IE) 2021-01-12 US disclosed
US-10836772-B2 DNA polymerase IIIC inhibitors and use thereof ACURX PHARMACEUTICALS, LLC (US) 2020-11-17 US disclosed
US-20200308179-A1 DNA Polymerase IIIC Inhibitors and Use Thereof Acurx Pharmaceuticals, Inc. 2020-10-01 US disclosed
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2020-06-04 US disclosed
EP-2178865-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS Lundbeck, H., A/S (DK) 2010-04-28 EP disclosed
WO-2009012482-A2 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS H.LUNDBECK A/S (DK) 2009-01-22 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 (5 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-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 CFTR 922/4885SLC6A2 4395/4885SLC6A4 4522/4885
US-20200308179-A1 DNA Polymerase IIIC Inhibitors and Use Thereof POLI, POLN, POLB CFTR 743/4885SLC6A2 4249/4885SLC6A4 4607/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 CFTR 922/4885SLC6A2 4395/4885SLC6A4 4522/4885
US-11001592-B2 DNA polymerase IIIC inhibitors and use thereof POLI, POLN, POLB CFTR 743/4885SLC6A2 4249/4885SLC6A4 4607/4885
US-10836772-B2 DNA polymerase IIIC inhibitors and use thereof POLI, POLN, POLB CFTR 743/4885SLC6A2 4249/4885SLC6A4 4607/4885

“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.