SCHEMBL3520904

SCHEMBL3520904

O/N=C/c1ccc(Br)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MGAM O43451 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43
▸ NPFFR1 Q9GZQ6 3/20 0.41
▸ NPFFR2 Q9Y5X5 3/20 0.41
▸ NPC1 O15118 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PKM P14618 2/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL3520908 1.00 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1SMN1; SMN2RAB9A
SCHEMBL6070471 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1SMN1; SMN2RAB9A
SCHEMBL6070467 0.91 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1SMN1; SMN2RAB9A
SCHEMBL30667977 0.84 SMN1; SMN2 (0.46) ALDH1A1KDM4EL3MBTL1SMN1; SMN2RAB9A
SCHEMBL26684281 0.84 SMN1; SMN2 (0.46) ALDH1A1KDM4EL3MBTL1SMN1; SMN2RAB9A
SCHEMBL9351222 0.81 NPFFR1 (0.58) ALDH1A1KDM4EL3MBTL1SMN1; SMN2RAB9A
SCHEMBL9351215 0.81 NPFFR1 (0.58) ALDH1A1KDM4EL3MBTL1SMN1; SMN2RAB9A
SCHEMBL2474936 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1SMN1; SMN2RAB9A
SCHEMBL2472098 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1SMN1; SMN2RAB9A
SCHEMBL2472101 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EL3MBTL1SMN1; SMN2RAB9A

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134401-B1 ISOXAZOLINE HYDROXAMIC ACID DERIVATIVES AS LPXC INHIBITORS NOVARTIS AG (CH) 2018-06-13 — — EP disclosed
US-9718792-B2 Isoxazoline hydroxamic acid derivatives as LpxC inhibitors NOVARTIS AG (CH) 2017-08-01 — — US disclosed
US-9718792-B2 Isoxazoline hydroxamic acid derivatives as LpxC inhibitors NOVARTIS AG (CH) 2017-08-01 — — US disclosed
US-9718792-B2 Isoxazoline hydroxamic acid derivatives as LpxC inhibitors NOVARTIS AG (CH) 2017-08-01 — — US disclosed
US-20170174640-A1 ISOXAZOLINE HYDROXAMIC ACID DERIVATIVES AS LpxC INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-06-22 — — US disclosed
US-20170174640-A1 ISOXAZOLINE HYDROXAMIC ACID DERIVATIVES AS LpxC INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-06-22 — — US disclosed
US-20170174640-A1 ISOXAZOLINE HYDROXAMIC ACID DERIVATIVES AS LpxC INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2017-06-22 — — US disclosed
US-9637482-B2 Isoxazoline hydroxamic acid derivatives as LpxC inhibitors NOVARTIS AG (CH) 2017-05-02 — — US disclosed
US-9637482-B2 Isoxazoline hydroxamic acid derivatives as LpxC inhibitors NOVARTIS AG (CH) 2017-05-02 — — US disclosed
US-9637482-B2 Isoxazoline hydroxamic acid derivatives as LpxC inhibitors NOVARTIS AG (CH) 2017-05-02 — — US disclosed
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives WYETH 2003-03-13 — — US disclosed
US-6462032-B1 Cyclic regimens utilizing indoline derivatives WYETH 2002-10-08 — — US disclosed
US-20020086874-A1 Indoline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-07-04 — — US disclosed
CN-1350523-A Indoline derivatives as progesterone antagonists AMERICAN HOME PROD (US) 2002-05-22 — — CN disclosed
US-6391907-B1 ANTICANCER AGENTS; CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 — — US disclosed
CN-1349416-A Contraceptive compositions contaiing indoline derivatives and progestational agents AMERICAN HOME PROD (US) 2002-05-15 — — CN disclosed
EP-1175398-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS American Home Products Corporation (US) 2002-01-30 — — EP disclosed
EP-1173212-A1 CONTRACEPTIVE COMPOSITIONS CONTANING INDOLONE DERIVATIVES AND PROGESTATIONAL AGENTS American Home Products Corporation (US) 2002-01-23 — — EP disclosed
WO-2000066167-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING INDOLINE DERIVATIVES AND PROGESTATIONAL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 — — WO disclosed
WO-2000066556-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 — — 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 (3 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-20020086874-A1 Indoline derivatives PGR, GNRHR, PRLHR ALDH1A1 1588/4885KDM4E 2337/4885L3MBTL1 3522/4885
US-20170174640-A1 ISOXAZOLINE HYDROXAMIC ACID DERIVATIVES AS LpxC INHIBITORS PRXL2A, AGXT, HAX1 ALDH1A1 2361/4885KDM4E 991/4885L3MBTL1 1967/4885
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives PRLHR, GNRHR, BRCA1 ALDH1A1 1414/4885KDM4E 3104/4885L3MBTL1 3368/4885

“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.

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