SCHEMBL2128654

SCHEMBL2128654

COC(=O)c1cc(N)c(NC(C)=O)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 4/20 0.50
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
HDAC1 Q13547 2/20 0.45
PDK2 Q15119 1/20 0.45
PDK4 Q16654 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL22999843 0.84 HDAC1 (0.48) SMN1; SMN2GAAHDAC1KDM4EALDH1A1
SCHEMBL2127374 0.83 HDAC1 (0.47) SMN1; SMN2GAACA1CA2CA9
SCHEMBL21003306 0.82 SMN1; SMN2 (0.55) SMN1; SMN2GAACA12CA1CA2
Hydrochloric Acid SCHEMBL11690960 0.81 GAA (0.55) SMN1; SMN2GAAHDAC1KDM4EALDH1A1
SCHEMBL2127163 0.81 GAA (0.44) GAACA12CA1CA2CA7
SCHEMBL2701033 0.81 GAA (0.61) SMN1; SMN2GAACA12CA1CA2
SCHEMBL1259985 0.81 HDAC1 (0.50) SMN1; SMN2CA1CA2CA9HDAC1
SCHEMBL3298778 0.81 SMN1; SMN2 (0.54) SMN1; SMN2GAACA12CA1CA2
SCHEMBL7057939 0.81 SMN1; SMN2 (0.54) SMN1; SMN2GAACA12CA1CA2
SCHEMBL3998288 0.81 ALDH1A1 (0.56) SMN1; SMN2GAACA12CA1CA2

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
US-20120101157-A1 4,5-Diamino-3-Halo-2-Hydroxybenzoic Acid Derivatives and Preparations Thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-04-26 US claimed
US-20120101157-A1 4,5-Diamino-3-Halo-2-Hydroxybenzoic Acid Derivatives and Preparations Thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-04-26 US disclosed
US-20120101157-A1 4,5-Diamino-3-Halo-2-Hydroxybenzoic Acid Derivatives and Preparations Thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2012-04-26 US disclosed
EP-0865281-B1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 2002-04-03 EP disclosed
EP-0865281-A4 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 1999-07-28 EP disclosed
US-5849759-A Naphthyl-substituted benzimidazole derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-15 US disclosed
EP-0865281-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1998-09-23 EP disclosed
WO-1997021437-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-06-19 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-20120101157-A1 4,5-Diamino-3-Halo-2-Hydroxybenzoic Acid Derivatives and Preparations Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH3, HRH2 SMN1; SMN2 4664/4885GAA 152/4885CA12 353/4885

“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.