SCHEMBL2727042

SCHEMBL2727042

O=C(Nc1c(F)cccc1F)c1cnc(Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
JUN P05412 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SIRT6 Q8N6T7 1/20 0.46
IL2 P60568 1/20 0.44
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 4/20 0.42
GAA P10253 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
S1PR4 O95977 1/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL17136102 0.76 HDAC6 (0.57) SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL19074726 0.76 NPC1 (0.63) SMN1; SMN2NPC1JUNNFKB1NFKB2
SCHEMBL15527973 0.74 MEN1 (0.59) SMN1; SMN2NPC1IL2RAB9AALDH1A1
SCHEMBL20302477 0.73 P2RX7 (0.56) RAB9AALDH1A1KMT2ANPY5R
SCHEMBL31727596 0.73 IL2 (0.46) SMN1; SMN2IL2
SCHEMBL28183890 0.72 PIM1 (0.47) ALDH1A1KMT2ANPY5R
SCHEMBL693373 0.72 CYP1A2 (0.50) ALDH1A1KMT2ANPY5R
SCHEMBL20560667 0.72 KMT2A (0.55) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL22874397 0.71 SMN1; SMN2 (0.46) SMN1; SMN2NPC1IL2ALDH1A1
SCHEMBL31133474 0.71 POLB (0.46) ALDH1A1KMT2ANPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10292981-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2019-05-21 US disclosed
US-10292981-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2019-05-21 US disclosed
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LTD (IN) 2017-10-26 US disclosed
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LTD (IN) 2017-10-26 US disclosed
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LTD (IN) 2017-10-26 US disclosed
US-9737534-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2017-08-22 US disclosed
US-9737534-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2017-08-22 US disclosed
US-9737534-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2017-08-22 US disclosed
EP-3067347-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS Lupin Limited (IN) 2016-09-14 EP disclosed
EP-3067347-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS Lupin Limited (IN) 2016-09-14 EP disclosed
US-20160022673-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS LUPIN LIMITED (IN) 2016-01-28 US disclosed
US-20160022673-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS LUPIN LIMITED (IN) 2016-01-28 US disclosed
US-9169242-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2015-10-27 US disclosed
US-9169242-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2015-10-27 US disclosed
US-9169242-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2015-10-27 US disclosed
EP-2632906-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS Lupin Limited (IN) 2013-09-04 EP disclosed
US-20130225600-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LIMITED (IN) 2013-08-29 US disclosed
US-20130225600-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LIMITED (IN) 2013-08-29 US disclosed
WO-2012056478-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS LUPIN LIMITED (IN) 2012-05-03 WO disclosed
WO-2012056478-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS LUPIN LIMITED (IN) 2012-05-03 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 (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-20160022673-A1 OXAZOLE AND ISOXAZOLE CRAC MODULATORS RYR2, RYR1, GABRR1 SMN1; SMN2 1083/4885NPC1 1168/4885JUN 4639/4885
US-10292981-B2 Oxazoline and isoxazoline derivatives as CRAC modulators RYR2, RYR1, ADRA2C SMN1; SMN2 900/4885NPC1 1260/4885JUN 4334/4885
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS RYR2, ADRA2C, RYR1 SMN1; SMN2 856/4885NPC1 1274/4885JUN 4431/4885
US-20130225600-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS RYR2, ADRA2C, RYR1 SMN1; SMN2 856/4885NPC1 1274/4885JUN 4431/4885

“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.