SCHEMBL3573306

SCHEMBL3573306

CCCNC(=O)C(=CNc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
RORC P51449 1/20 0.38
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.36
RPS6KA3 P51812 1/20 0.36
MTTP P55157 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3566921 0.88 HPGD (0.41) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3566919 0.88 HPGD (0.41) NPSR1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3568369 0.88 HPGD (0.43) MEN1KMT2ACYP11B1HPGDPOLB
SCHEMBL13504645 0.88 HPGD (0.43) MEN1KMT2ACYP11B1HPGDPOLB
SCHEMBL3567483 0.86 HPGD (0.41) MEN1KMT2AHPGDPOLBSMN1; SMN2
SCHEMBL3567486 0.86 HPGD (0.41) MEN1KMT2AHPGDPOLBSMN1; SMN2
SCHEMBL3574760 0.84 HPGD (0.40) CYP11B1HPGDRORCSMN1; SMN2ALDH1A1
SCHEMBL3574762 0.84 HPGD (0.40) CYP11B1HPGDRORCSMN1; SMN2ALDH1A1
SCHEMBL3569433 0.84 HPGD (0.40) NPSR1HPGDSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL3569435 0.84 HPGD (0.40) NPSR1HPGDSMN1; SMN2ALDH1A1CYP1A2

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 NPSR1 81/4885MEN1 2446/4885KMT2A 3043/4885

“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.