SCHEMBL3574089

SCHEMBL3574089

CCCNC(=O)C(C)C(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NAAA Q02083 3/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
P4HB P07237 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.41
PAX8 Q06710 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 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
SCHEMBL30945106 0.86 KMT2A (0.71) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL3569923 0.82 ATM (0.57) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL3560675 0.80 KMT2A (0.67) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL28658959 0.76 GPR88 (0.56) KMT2ANAAALMNAPAX8
SCHEMBL19245448 0.76 GPR88 (0.56) KMT2ANAAALMNAPAX8
SCHEMBL27507926 0.76 PGR (0.53) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL1397470 0.75 KMT2A (0.58) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL10506544 0.75 KMT2A (0.60) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL21276573 0.75 POLB (0.49) KMT2AL3MBTL1CYP2D6CYP2C9CYP2C19
SCHEMBL334957 0.74 NAAA (0.73) KMT2AL3MBTL1NAAALMNAHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742904-B1 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2012-10-31 EP disclosed
US-7825278-B2 Substituted enaminones, their derivatives and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-11-02 US disclosed
US-20080064748-A1 Substituted enaminones, their derivatives and uses thereof OXFORD FINANCE CORPORATION 2008-03-13 US disclosed
EP-1742904-A4 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2007-04-18 EP disclosed
EP-1742904-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-17 EP disclosed
WO-2005108347-A2 SUBSTITUTED ENAMINONES, THEIR DERIVATIVES AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-11-17 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 (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-20080064748-A1 Substituted enaminones, their derivatives and uses thereof GABRB2, GABRB1, GABRB3 KMT2A 3043/4885PGR 2207/4885ADRA2A 154/4885

“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.