SCHEMBL5147688

SCHEMBL5147688

COCNC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
CA2 P00918 4/20 0.40
CA12 O43570 3/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
APLNR P35414 1/20 0.37
CA1 P00915 3/20 0.36
CA9 Q16790 2/20 0.36
EPHX1 P07099 1/20 0.36
DGAT1 O75907 1/20 0.35
CA7 P43166 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL10117371 0.86 TDP1 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL11566314 0.83 CA12 (0.53) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3467656 0.83 CA12 (0.53) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL25415706 0.82 TDP1 (0.41) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL31312814 0.82 TDP1 (0.45) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL6502824 0.82 TDP1 (0.49) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL288380 0.81 MAOA (0.47) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL23332545 0.81 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3984277 0.81 TDP1 (0.46) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL755178 0.80 TDP1 (0.54) TDP1MAOAMAOBMEN1KMT2A

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-7223794-B2 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2007-05-29 US disclosed
US-20070112044-A1 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-17 US disclosed
EP-1671957-A1 THIADIAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-06-21 EP disclosed
US-20050143379-A1 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2005-06-30 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 (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-20050143379-A1 Arylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase CYP1A1, NOS3, NOS1 TDP1 1275/4885MAOA 118/4885MAOB 121/4885
US-20070112044-A1 Thiadiazoline derivative TLK2, TLK1, BRWD1 TDP1 1783/4885MAOA 3756/4885MAOB 3818/4885

“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.