SCHEMBL5921179

SCHEMBL5921179

O=C(O)C1C=NOc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
ATM Q13315 1/20 0.37
EDNRA P25101 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5585840 0.84 ATM (0.36) CYP2C9ATMHDAC3HDAC4HDAC1
SCHEMBL5473567 0.84 ATM (0.47) CYP2C9ATMHDAC3HDAC4HDAC1
SCHEMBL7370928 0.76 ATM (0.36) CYP2C9ATMHDAC3HDAC4HDAC1
SCHEMBL5605786 0.75 EGFR (0.36) CYP2C9ATMHDAC3HDAC4HDAC1
SCHEMBL307459 0.69 MAOA (0.34) MAOAMAOB
SCHEMBL9245713 0.69 CYP2C9 (0.39) CYP2C9ATMEDNRAHDAC3HDAC4
SCHEMBL27786483 0.69 MAOA (0.31) ATMMAOAMAOB
SCHEMBL17320675 0.68 LMNA (0.46) EDNRAMAOAMAOBMAPTPOLB
SCHEMBL4221393 0.68 ALDH1A1 (0.33) ATMMAOAMAOBALDH1A1
SCHEMBL8917182 0.65 EDNRA (0.46) EDNRALMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2015-10-15 US disclosed
US-9102687-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2015-08-11 US disclosed
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2014-10-09 US disclosed
US-20060265776-A1 Viability DURHAM, UNIVERSITY OF (GB) 2006-11-23 US disclosed
EP-1608772-A1 IMPROVEMENTS IN OR RELATING TO VIABILITY UNIVERSITY OF DURHAM (GB) 2005-12-28 EP disclosed
WO-2004087944-A1 IMPROVEMENTS IN OR RELATING TO VIABILITY UNIVERSITY OF DURHAM (GB) 2004-10-14 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 (3 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-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG CYP2C9 1329/4885ATM 3510/4885EDNRA 345/4885
US-20150291551-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG CYP2C9 1329/4885ATM 3510/4885EDNRA 345/4885
US-20140303150-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG CYP2C9 1329/4885ATM 3510/4885EDNRA 345/4885

“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.