SCHEMBL16091682

SCHEMBL16091682

CC1=NN(c2ccccc2)C(=O)C1(C)Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 7/20 0.45
MAPT P10636 6/20 0.45
TDP1 Q9NUW8 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 4/20 0.45
GAA P10253 4/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
CHRM1 P11229 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
DRD3 P35462 1/20 0.45
LOX P28300 2/20 0.44
LOXL3 P58215 1/20 0.44
LOXL4 Q96JB6 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
GFER P55789 1/20 0.41

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
SCHEMBL18770518 0.85 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTTDP1MEN1
SCHEMBL420793 0.82 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1MAPTTDP1MEN1
SCHEMBL17290426 0.80 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MAPTTDP1MEN1
SCHEMBL17290523 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTTDP1MEN1
SCHEMBL17290346 0.80 SMN1; SMN2 (0.43) SMN1; SMN2PTGS1
SCHEMBL28585189 0.79 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1MAPTTDP1MEN1
SCHEMBL17290955 0.79 LOX (0.45) SMN1; SMN2ALDH1A1MAPTTDP1MEN1
SCHEMBL18770503 0.78 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MAPTTDP1MEN1
SCHEMBL17290822 0.78 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTTDP1MEN1
SCHEMBL11047547 0.77 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1MAPTTDP1MEN1

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
EP-3490975-B1 O-SUBSTITUTED HYDROXAMIC ACIDS UNIV JOHNS HOPKINS (US) 2021-05-05 EP disclosed
US-10913728-B2 O-substituted hydroxamic acids THE JOHNS HOPKINS UNIVERSITY (US) 2021-02-09 US disclosed
EP-3490975-A1 O-SUBSTITUTED HYDROXAMIC ACIDS The Johns Hopkins University (US) 2019-06-05 EP disclosed
US-20190161464-A1 O-SUBSTITUTED HYDROXAMIC ACIDS NATIONAL SCIENCE FOUNDATION 2019-05-30 US disclosed
WO-2018022899-A1 O-SUBSTITUTED HYDROXAMIC ACIDS THE JOHNS HOPKINS UNIVERSITY (US) 2018-02-01 WO disclosed
US-20170050947-A1 MELDRUM'S ACID, BARBITURIC ACID AND PYRAZOLONE DERIVATIVES SUBSTITUTED WITH HYDROXYLAMINE AS HNO DONORS THE JOHNS HOPKINS UNIVERSITY 2017-02-23 US disclosed
US-9181213-B2 Meldrum's acid, barbituric acid and pyrazolone derivatives substituted with hydroxylamine as HNO donors THE JOHNS HOPKINS UNIVERSITY (US) 2015-11-10 US disclosed
US-20140275134-A1 MELDRUM'S ACID, BARBITURIC ACID AND PYRAZOLONE DERIVATIVES SUBSTITUTED WITH HYDROXYLAMINE AS HNO DONORS NATIONAL SCIENCE FOUNDATION 2014-09-18 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-20170050947-A1 MELDRUM'S ACID, BARBITURIC ACID AND PYRAZOLONE DERIVATIVES SUBSTITUTED WITH HYDROXYLAMINE AS HNO DONORS HMOX1, HMOX2, HPGD SMN1; SMN2 478/4885ALDH1A1 515/4885MAPT 3459/4885
US-10913728-B2 O-substituted hydroxamic acids HAAO, HAO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SMN1; SMN2 1466/4885ALDH1A1 1193/4885MAPT 4030/4885
US-20190161464-A1 O-SUBSTITUTED HYDROXAMIC ACIDS HAAO, HAO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SMN1; SMN2 1466/4885ALDH1A1 1193/4885MAPT 4030/4885
US-20140275134-A1 MELDRUM'S ACID, BARBITURIC ACID AND PYRAZOLONE DERIVATIVES SUBSTITUTED WITH HYDROXYLAMINE AS HNO DONORS HMOX1, HMOX2, HPGD SMN1; SMN2 478/4885ALDH1A1 515/4885MAPT 3459/4885

“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.