SCHEMBL2732129

SCHEMBL2732129

Cn1cccc1C(=O)Nc1c(F)cccc1F

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 2/20 0.49
PKM P14618 2/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CYP2C9 P11712 1/20 0.44
PDE4D Q08499 1/20 0.43

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
SCHEMBL28274627 0.78 RAB9A (0.57) RAB9ANPC1KMT2ASMN1; SMN2HPGD
SCHEMBL19332321 0.77 RAB9A (0.75) RAB9ANPC1KMT2ASMN1; SMN2HPGD
SCHEMBL2732151 0.75 ALDH1A1 (0.44) KMT2AALDH1A1HDAC1PDE4D
SCHEMBL16416886 0.75 NPC1 (0.60) RAB9ANPC1KMT2ASMN1; SMN2HPGD
SCHEMBL12881525 0.73 RAB9A (0.56) RAB9ANPC1KMT2ASMN1; SMN2HPGD
SCHEMBL15205297 0.73 ALDH1A1 (0.43) KMT2AALDH1A1HDAC1PDE4D
SCHEMBL12852349 0.72 ATM (0.53) RAB9ANPC1KMT2AHDAC1HDAC6
SCHEMBL1126857 0.72 KMT2A (0.64) RAB9ANPC1KMT2ASMN1; SMN2HPGD
SCHEMBL1877283 0.72 RAB9A (0.57) RAB9ANPC1KMT2ASMN1; SMN2HPGD
SCHEMBL23808915 0.71 KMT2A (0.63) RAB9ANPC1KMT2ASMN1; SMN2HPGD

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 RAB9A 3236/4885NPC1 1168/4885KMT2A 4461/4885
US-10292981-B2 Oxazoline and isoxazoline derivatives as CRAC modulators RYR2, RYR1, ADRA2C RAB9A 3213/4885NPC1 1260/4885KMT2A 4046/4885
US-20170304299-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS RYR2, ADRA2C, RYR1 RAB9A 3278/4885NPC1 1274/4885KMT2A 3991/4885
US-20130225600-A1 OXAZOLINE AND ISOXAZOLINE DERIVATIVES AS CRAC MODULATORS RYR2, ADRA2C, RYR1 RAB9A 3278/4885NPC1 1274/4885KMT2A 3991/4885

“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.