SCHEMBL5128513

SCHEMBL5128513

COCc1cc(Br)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 6/20 0.37
HPGD P15428 5/20 0.37
HSD17B10 Q99714 5/20 0.37
GAA P10253 3/20 0.37
IDH1 O75874 1/20 0.37
USP2 O75604 2/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
CASP1 P29466 2/20 0.35
KMT2A Q03164 2/20 0.35
PYCR1 P32322 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL25170808 0.80 NOS3 (0.42) NOS3NOS1NOS2MAOBMAOA
SCHEMBL1366457 0.79 NOS3 (0.49) NOS3NOS1NOS2MAOBMAOA
SCHEMBL552171 0.79 TDP1 (0.42) MAOBMAOAALDH1A1KDM4EHPGD
SCHEMBL307884 0.77 NOS3 (0.47) NOS3NOS1NOS2MAOBMAOA
SCHEMBL4588928 0.77 POLB (0.41) ALDH1A1KDM4EHSD17B10GAAUSP2
SCHEMBL30517254 0.77 POLB (0.41) ALDH1A1KDM4EHSD17B10GAAUSP2
SCHEMBL13570672 0.76 NOS3 (0.47) NOS3NOS1NOS2MAOBMAOA
SCHEMBL4299861 0.76 NOS2 (0.36) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL25408955 0.76 NOS3 (0.44) NOS3NOS1NOS2MAOBMAOA
SCHEMBL7426884 0.76 MAOB (0.48) NOS3NOS1NOS2MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-20080070946-A1 Hydroxymethylbenzothiazoles Amides ASTRAZENECA AB (SE) 2008-03-20 US disclosed
EP-1799661-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES AstraZeneca AB (SE) 2007-06-27 EP disclosed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 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 (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-20080070946-A1 Hydroxymethylbenzothiazoles Amides TPMT, SDHA, SDHB NOS3 3880/4885NOS1 4442/4885NOS2 3387/4885

“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.