SCHEMBL581753

SCHEMBL581753

COC(=O)c1ccnc(-c2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
KDM6B O15054 1/20 0.55
KDM5C P41229 1/20 0.55
KDM4C Q9H3R0 1/20 0.55
KDM2A Q9Y2K7 1/20 0.55
KDM3A Q9Y4C1 1/20 0.55
KMO O15229 2/20 0.53
SDHB P21912 1/20 0.52
SYK P43405 2/20 0.50
ABL1 P00519 2/20 0.50
BCR P11274 2/20 0.50
PHGDH O43175 1/20 0.50
JMJD6 Q6NYC1 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
PDK2 Q15119 1/20 0.47
ALDH1A1 P00352 1/20 0.47
BRAF P15056 1/20 0.47

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
SCHEMBL30772297 1.00 KDM4E (0.55) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL7824610 0.88 PDK2 (0.54) SDHBMRGPRX4PDK2GABRG2GABRB3
Hydrochloric Acid SCHEMBL580786 0.87 KDM4E (0.55) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL581356 0.85 KDM4C (0.58) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29163821 0.85 KMO (0.51) KDM4EKDM4CKMOABL1BCR
SCHEMBL30775369 0.84 KMO (0.65) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL6237221 0.82 DHODH (0.52) KDM4EKMOSDHBALDH1A1PIK3CD
SCHEMBL31355711 0.82 CES2 (0.65) MRGPRX4ALDH1A1NPSR1
SCHEMBL40351 0.82 CES2 (0.65) MRGPRX4ALDH1A1NPSR1
SCHEMBL28493467 0.81 KDM4E (0.60) KDM4EKDM6BKDM5CKDM4CKDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430549-A Method for preparing isonicotinic acid compound by taking carbon dioxide as carboxyl source 南开大学 2024-01-23 CN disclosed
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 KDM4E 2668/4885KDM6B 3249/4885KDM5C 3414/4885

“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.