SCHEMBL7750952

SCHEMBL7750952

FC(F)(F)c1cc(-c2ccccc2)no1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
RAB9A P51151 12/20 0.55
NPC1 O15118 10/20 0.55
NOTUM Q6P988 2/20 0.49
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 3/20 0.44
STAT3 P40763 2/20 0.44

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
SCHEMBL28402085 0.96 MEN1 (0.64) MEN1KMT2ARAB9ANPC1NOTUM
SCHEMBL2319256 0.83 LMNA (0.52) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL15299348 0.83 MEN1 (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL23364835 0.82 MEN1 (0.54) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL2320359 0.82 MEN1 (0.47) MEN1KMT2ANOTUMSMN1; SMN2NFKB1
SCHEMBL31124848 0.82 MEN1 (0.60) MEN1KMT2ARAB9ANPC1NOTUM
SCHEMBL28977122 0.81 RAB9A (0.51) MEN1KMT2ARAB9ANPC1CASP3
SCHEMBL2321001 0.81 RAB9A (0.51) MEN1KMT2ARAB9ANPC1NOTUM
SCHEMBL24168675 0.81 MEN1 (0.46) MEN1KMT2ARAB9ANPC1NOTUM
SCHEMBL28413035 0.81 SMN1; SMN2 (0.54) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113292549-B Oxadiazoline containing trifluoromethyl isoxazole ring and preparation method thereof 上海大学 2023-06-09 CN claimed
CN-113292549-A Oxadiazoline containing trifluoromethyl isoxazole ring and preparation method thereof 上海大学 2021-08-24 CN claimed
CN-113292549-B Oxadiazoline containing trifluoromethyl isoxazole ring and preparation method thereof 上海大学 2023-06-09 CN disclosed
CN-111087355-B Synthetic method of 5-trifluoromethyl-isoxazole compound 福州大学 2023-04-04 CN disclosed
CN-113292549-A Oxadiazoline containing trifluoromethyl isoxazole ring and preparation method thereof 上海大学 2021-08-24 CN disclosed
CN-111087355-A Synthetic method of 5-trifluoromethyl-isoxazole compound 福州大学 2020-05-01 CN disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 US disclosed
US-9073908-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2015-07-07 US disclosed
US-8877783-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8877782-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-8877782-B2 Isoxazolo-pyridine derivatives ROCHE PALO ALTO LLC (US) 2014-11-04 US disclosed
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-10-17 US disclosed
US-8518974-B2 Isoxazolo-pyridine derivatives Hoffmann-La Roche Inc (US) 2013-08-27 US disclosed
US-8518974-B2 Isoxazolo-pyridine derivatives Hoffmann-La Roche Inc (US) 2013-08-27 US disclosed
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-07-19 US disclosed
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-07-19 US disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 US disclosed
US-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES ROCHE PALO ALTO LLC 2009-06-04 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-20090143371-A1 ISOXAZOLE-PYRIDINE DERIVATIVES GABRA5, GABRA1, CHRNA5 MEN1 4423/4885KMT2A 3647/4885RAB9A 1044/4885
US-20130274467-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 MEN1 4496/4885KMT2A 3542/4885RAB9A 1058/4885
US-20130274469-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 MEN1 4496/4885KMT2A 3542/4885RAB9A 1058/4885
US-20120184538-A1 ISOXAZOLO-PYRIDINE DERIVATIVES GABRA5, GABRA1, GABRA4 MEN1 4496/4885KMT2A 3542/4885RAB9A 1058/4885

“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.