SCHEMBL26313896

SCHEMBL26313896

CC(C)(C)OC(=O)NCCN(Cc1cc(Cl)ccc1Br)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
DRD2 P14416 4/20 0.37

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
SCHEMBL26313878 0.88 IDO1 (0.44) IDO1HPGDALDH1A1HTTMEN1
SCHEMBL26313798 0.87 IDO1 (0.43) IDO1HPGDALDH1A1HTTMEN1
SCHEMBL30597303 0.87 IDO1 (0.43) IDO1HPGDALDH1A1HTTMEN1
SCHEMBL26313784 0.81 IDO1 (0.42) IDO1HPGDALDH1A1HTTMEN1
SCHEMBL5769720 0.81 CKS1B (0.43) IDO1HPGDHTTMEN1KMT2A
SCHEMBL18106066 0.78 IDO1 (0.46) IDO1HPGDALDH1A1HTTMEN1
SCHEMBL4757294 0.75 GAA (0.49) IDO1HPGDALDH1A1HTTMEN1
SCHEMBL26313668 0.75 CRHR1 (0.40) ALDH1A1HSD17B10LMNATSHR
SCHEMBL29793580 0.75 GAA (0.49) IDO1HPGDALDH1A1HTTMEN1
SCHEMBL30597398 0.75 NOS2 (0.43) IDO1HPGDALDH1A1HTTMEN1

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-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 US disclosed
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 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-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF NOS1, NOS3, NOS2 IDO1 68/4885HPGD 99/4885ALDH1A1 2994/4885

“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.