SCHEMBL2732151

SCHEMBL2732151

Cn1c(Br)ccc1C(=O)Nc1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
S1PR4 O95977 1/20 0.41
PDE4D Q08499 2/20 0.41
KMT2A Q03164 2/20 0.41
NAMPT P43490 1/20 0.39
HDAC1 Q13547 1/20 0.39
NLRP3 Q96P20 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NPY5R Q15761 1/20 0.37
MEN1 O00255 1/20 0.37
RIPK1 Q13546 1/20 0.37
MAPK14 Q16539 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
SCHEMBL15205297 0.79 ALDH1A1 (0.43) ALDH1A1S1PR4PDE4DKMT2ANAMPT
SCHEMBL15869821 0.75 NPY5R (0.50) ALDH1A1PDE4DKMT2ANPY5RMEN1
SCHEMBL2732129 0.75 RAB9A (0.51) ALDH1A1PDE4DKMT2AHDAC1
SCHEMBL12848960 0.70 SMN1; SMN2 (0.36) ALDH1A1PDE4DKMT2A
SCHEMBL15527872 0.69 TP53 (0.57) ALDH1A1PDE4DKMT2AHDAC1MEN1
SCHEMBL23808915 0.69 KMT2A (0.63) ALDH1A1KMT2AMAOAMAOBMEN1
SCHEMBL767088 0.69 ALDH1A1 (0.47) ALDH1A1PDE4DKMT2AHDAC1NLRP3
SCHEMBL1430230 0.67 KMT2A (0.55) ALDH1A1PDE4DKMT2AHDAC1NLRP3
SCHEMBL1529724 0.67 MCL1 (0.46) ALDH1A1HDAC1
SCHEMBL18415481 0.66 KMT2A (0.59) ALDH1A1PDE4DKMT2ANLRP3NOX1

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 15 patents. 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-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
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
EP-2632906-B1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS LUPIN LTD (IN) 2016-04-06 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
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
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 ALDH1A1 580/4885S1PR4 1170/4885PDE4D 816/4885
US-10292981-B2 Oxazoline and isoxazoline derivatives as CRAC modulators RYR2, RYR1, ADRA2C ALDH1A1 655/4885S1PR4 1396/4885PDE4D 999/4885
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS RYR2, ADRA2C, RYR1 ALDH1A1 607/4885S1PR4 1312/4885PDE4D 953/4885
US-20130225600-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS RYR2, ADRA2C, RYR1 ALDH1A1 607/4885S1PR4 1312/4885PDE4D 953/4885

“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.