SCHEMBL25928593

SCHEMBL25928593

CC(=O)c1cc(Br)nc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.38
CYP2A6 P11509 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
HTT P42858 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 7/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
MAPK14 Q16539 1/20 0.31
ESRRA P11474 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL13636842 0.86 CA5A (0.44) CA5ACYP2A6SMN1; SMN2HTTKDM4E
SCHEMBL25951737 0.85 ALOX15 (0.41) SMN1; SMN2KDM4EMAPTMAPK1LMNA
SCHEMBL25946255 0.84 AURKA (0.38) SMN1; SMN2HTTKDM4EMAPTGAA
SCHEMBL5763879 0.82 CA5A (0.48) CA5ACYP2A6SMN1; SMN2KDM4EMAPT
SCHEMBL4927775 0.75 NPC1 (0.43) CA5ACYP2A6SMN1; SMN2HTTKDM4E
SCHEMBL25928591 0.74 HMGCR (0.34) KDM4ENPC1RAB9AGRNSORT1
SCHEMBL18176027 0.73 CA5A (0.40) CA5ACYP2A6SMN1; SMN2MAPTLMNA
SCHEMBL26690039 0.72 ALOX15 (0.52) CA5ASMN1; SMN2HTTKDM4EMAPT
SCHEMBL25938666 0.70 HTT (0.40) HTTMAPK14
SCHEMBL25928598 0.70 THRB (0.41) MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 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 (4 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH CA5A 3279/4885CYP2A6 586/4885SMN1; SMN2 2037/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH CA5A 3305/4885CYP2A6 207/4885SMN1; SMN2 3485/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH CA5A 3305/4885CYP2A6 207/4885SMN1; SMN2 3485/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH CA5A 4274/4885CYP2A6 3171/4885SMN1; SMN2 2986/4885

“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.