SCHEMBL581409

SCHEMBL581409

COC(=O)c1ccnc(Cc2ccccc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
KDM6B O15054 1/20 0.46
KDM5C P41229 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
KDM3A Q9Y4C1 1/20 0.46
KDM5B Q9UGL1 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
ALOX15 P16050 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 2/20 0.41
JMJD6 Q6NYC1 1/20 0.41
KDM5A P29375 4/20 0.41

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
SCHEMBL580698 0.86 KDM5B (0.45) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL580655 0.86 KDM5A (0.45) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL580206 0.85 NPC1 (0.47) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL581076 0.84 ABL1 (0.45) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL1568696 0.82 PARP10 (0.49) NPC1RAB9AKDM4CKDM5CKDM5B
SCHEMBL582378 0.81 PLG (0.40) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL580585 0.81 KDM5B (0.56) NPC1RAB9AHPGDSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL582456 0.79 KDM5B (0.46) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL582010 0.79 KDM5B (0.56) NPC1RAB9AHPGDSMN1; SMN2KDM4E
SCHEMBL580744 0.78 KDM4C (0.48) NPC1RAB9AHPGDSMN1; SMN2KDM4E

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.