SCHEMBL26258579

SCHEMBL26258579

O=C(Nc1cccnc1O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.70
NPC1 O15118 5/20 0.66
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 5/20 0.58
CYP11B1 P15538 1/20 0.58
CYP11B2 P19099 1/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 3/20 0.57
KDM4E B2RXH2 1/20 0.54
RAB9A P51151 5/20 0.54
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53
CASP6 P55212 1/20 0.53
PTPN11 Q06124 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
STAT1 P42224 1/20 0.52
MITF O75030 2/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL24454874 0.85 KDR (0.52) KDRNPC1MEN1KMT2ALMNA
SCHEMBL6965899 0.85 NPC1 (0.70) KDRNPC1MEN1KMT2ALMNA
SCHEMBL28439885 0.83 KDR (1.00) KDRNPC1MEN1KMT2ALMNA
SCHEMBL21616930 0.81 KDR (0.63) KDRNPC1MEN1KMT2ALMNA
SCHEMBL8337442 0.81 NPC1 (0.80) KDRNPC1MEN1KMT2ALMNA
SCHEMBL27990883 0.81 KDR (0.65) KDRNPC1POLBRAB9AMAPK1
SCHEMBL16525522 0.80 KDR (0.65) KDRNPC1MEN1KMT2ALMNA
SCHEMBL28734353 0.80 NPC1 (1.00) KDRNPC1MEN1KMT2ALMNA
SCHEMBL13852143 0.80 TDP1 (0.68) KDRNPC1MEN1KMT2ALMNA
SCHEMBL11831401 0.78 NPC1 (0.52) KDRNPC1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 US disclosed
CN-116438166-A N-substituted 4- (1, 3-aryloxazol-2-yl) phenyl compounds for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-07-14 CN 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-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP2E1, CYP7A1 KDR 3154/4885NPC1 71/4885MEN1 2569/4885

“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.