SCHEMBL580206

SCHEMBL580206

COC(=O)c1ccnc(Cc2c(F)cccc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4C Q9H3R0 3/20 0.47
KDM4E B2RXH2 2/20 0.47
KDM6B O15054 1/20 0.47
KDM5C P41229 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
KDM3A Q9Y4C1 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
ALOX15 P16050 2/20 0.44
MRGPRX4 Q96LA9 2/20 0.42
JMJD6 Q6NYC1 1/20 0.42
KDM5B Q9UGL1 4/20 0.42
KDM5A P29375 3/20 0.42
HTT P42858 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
ROCK1 Q13464 1/20 0.41
CYP4F2 P78329 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
SCHEMBL581409 0.85 NPC1 (0.46) NPC1RAB9AHPGDSMN1; SMN2KDM4C
SCHEMBL580683 0.82 MRGPRX4 (0.55) NPC1RAB9AHPGDSMN1; SMN2KDM4C
SCHEMBL581656 0.81 NPC1 (0.34) NPC1RAB9AHPGDSMN1; SMN2KDM4C
Hydrochloric Acid SCHEMBL582456 0.80 KDM5B (0.46) NPC1RAB9AHPGDSMN1; SMN2KDM4C
SCHEMBL582010 0.80 KDM5B (0.56) NPC1RAB9AHPGDSMN1; SMN2KDM4C
SCHEMBL581173 0.80 KDM5B (0.56) NPC1RAB9AHPGDSMN1; SMN2KDM4C
SCHEMBL580744 0.80 KDM4C (0.48) NPC1RAB9AHPGDSMN1; SMN2KDM4C
SCHEMBL580698 0.79 KDM5B (0.45) NPC1RAB9AHPGDSMN1; SMN2KDM4C
SCHEMBL580655 0.79 KDM5A (0.45) NPC1RAB9AHPGDSMN1; SMN2KDM4C
SCHEMBL580585 0.79 KDM5B (0.56) NPC1RAB9AHPGDSMN1; SMN2KDM4C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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 (1 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 NPC1 497/4885RAB9A 3760/4885HPGD 3649/4885

“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.